N-[ (2-Aminophenyl) methyl]cyclohexanecarboxamide

CAT: 0926-JIC70438-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-JIC70438-02Size:0.5 g

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CAS Number

1459704-38-1

MDL Number

MFCD15501172

Smiles

C1CCC (CC1) C (=O) NCC2=CC=CC=C2N

Molecular Formula

C14H20N2O

Molecular Weight

232.32 g/mol

Controlled

Chemical Information

N-[(2-aminophenyl)methyl]cyclohexanecarboxamide

CAS Number	1459704-38-1
PubChem CID	61996119
IUPAC Name	N-[(2-aminophenyl)methyl]cyclohexanecarboxamide
Molecular Formula	C14H20N2O
Molecular Weight	232.32
XLogP	3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

C1CCC(CC1)C(=O)NCC2=CC=CC=C2N

InChI

InChI=1S/C14H20N2O/c15-13-9-5-4-8-12(13)10-16-14(17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,15H2,(H,16,17)

InChIKey

IRWRXPSYKQPBFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1459704-38-1

CID: 61996119

Formula: C14H20N2O

MW: 232.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.32
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	232.157563266
Monoisotopic Mass	232.157563266
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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EWB11725-01	N-[ (2-Aminophenyl) methyl]-N-methylcyclohexanecarboxamide
LUD67681-01	N-[ (2-Aminophenyl) methyl]acetamide hydrochloride
FWB61116-01	N-[ (2-Aminophenyl) methyl]-N-methylthiophene-2-carboxamide
DWB88712-01	N-[ (2-Aminophenyl) methyl]-N-methyl-1-benzofuran-2-carboxamide
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HXB91384-01	N-[ (2-Aminophenyl) methyl]-N-methyl-1,3-benzothiazol-2-amine
AJB79148-01	Methyl N-[ (4-aminophenyl) methyl]carbamate
SSA89834-01	N- (4-Methyl-2-morpholin-4-ylquinolin-6-yl) cyclohexanecarboxamide

Catalog	Name
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OR962459-01	Methyl 3- (2-aminophenyl) acrylate
OR85633-01	Methyl 2- (4-aminophenyl) propanoate
OR1002919-01	Methyl 2- (3-Aminophenyl) propanoate
OR1042983-01	Methyl [ (2-aminophenyl) carbamothioyl]carbamate
abx180845-01	N-Ethyl-5-methyl-2-(1-methylethyl)-cyclohexanecarboxamide
OR91567-01	Methyl 2- (2-aminophenyl) acetate hydrochloride