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N-[ (2-Aminophenyl) methyl]-N-methylcyclohexanecarboxamide

CAT: 0926-EWB11725-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EWB11725-01Size:50 mg
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CAS Number
1154117-25-5
MDL Number
MFCD11981637
Smiles
CN (CC1=CC=CC=C1N) C (=O) C2CCCCC2
Molecular Formula
C15H22N2O
Molecular Weight
246.35 g/mol
Controlled
No

Chemical Information

N-((2-aminophenyl)methyl)-N-methylcyclohexanecarboxamide
CAS Number1154117-25-5
PubChem CID43383812
IUPAC NameN-[(2-aminophenyl)methyl]-N-methylcyclohexanecarboxamide
Molecular FormulaC15H22N2O
Molecular Weight246.35
XLogP2.6
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
CN(CC1=CC=CC=C1N)C(=O)C2CCCCC2
InChI
InChI=1S/C15H22N2O/c1-17(11-13-9-5-6-10-14(13)16)15(18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11,16H2,1H3
InChIKey
TZTMVWNGORTJHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((2-aminophenyl)methyl)-N-methylcyclohexanecarboxamide
CAS: 1154117-25-5
CID: 43383812
Formula: C15H22N2O
MW: 246.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.35
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass246.173213330
Monoisotopic Mass246.173213330
Topological Polar Surface Area46.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes