5- (2-Methylpropoxy) -1H-indole

CAT: 0926-TFC44859-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TFC44859-01Size:50 mg

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CAS Number

1393448-59-3

MDL Number

MFCD23954535

Smiles

CC (C) COC1=CC2=C (C=C1) NC=C2

Molecular Formula

C12H15NO

Molecular Weight

189.25 g/mol

Controlled

Chemical Information

5-(2-methylpropoxy)-1H-indole

CAS Number	1393448-59-3
PubChem CID	75539658
IUPAC Name	5-(2-methylpropoxy)-1H-indole
Molecular Formula	C12H15NO
Molecular Weight	189.25
XLogP	3.4
Topological Polar Surface Area	25
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	181

SMILES

CC(C)COC1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C12H15NO/c1-9(2)8-14-11-3-4-12-10(7-11)5-6-13-12/h3-7,9,13H,8H2,1-2H3

InChIKey

ATSQGRDGLMYXRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1393448-59-3

CID: 75539658

Formula: C12H15NO

MW: 189.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.25
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	189.115364102
Monoisotopic Mass	189.115364102
Topological Polar Surface Area	25 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181
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
QZB40743-01	5- (2-Fluoroethoxy) -1H-indole
XMB38009-01	5- (2-Methoxyethoxy) -1H-indole
RDC04472-01	5-Amino-1H-indole-2-carboxamide
NFC04567-01	5-Fluoro-2-iodo-1H-indole
XMC17790-01	5-Bromo-2-iodo-1H-indole
ZEC45217-01	5-Chloro-1H-indole-2-carbonitrile
WAA77881	5-Methoxy-1H-indole-2-carbaldehyde
BAA46360-01	5-Methyl-1H-indole-2-carbaldehyde
AZB32716-01	5-[2- (Benzenesulfonyl) ethyl]-1H-indole
MIB39260-01	5-bromo-2- (trifluoromethyl) -1h-indole