N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine

C17H26ClN — CID 83169064

IUPACN-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
SMILESCC(C)CCCC(CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-13(2)5-3-7-15(12-19-17-9-10-17)14-6-4-8-16(18)11-14/h4,6,8,11,13,15,17,19H,3,5,7,9-10,12H2,1-2H3
InChIKeyHRINTVKIORRVOH-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.00
Rot. Bonds8

About N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine

N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine (PubChem CID 83169064) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
PubChem CID83169064
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
SMILESCC(C)CCCC(CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-13(2)5-3-7-15(12-19-17-9-10-17)14-6-4-8-16(18)11-14/h4,6,8,11,13,15,17,19H,3,5,7,9-10,12H2,1-2H3
InChIKeyHRINTVKIORRVOH-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine (CID 83169064) is N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine is CC(C)CCCC(CNC1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine?
The InChIKey is HRINTVKIORRVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)5-3-7-15(12-19-17-9-10-17)14-6-4-8-16(18)11-14/h4,6,8,11,13,15,17,19H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine has a molecular weight of 279.85 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine is sourced from PubChem (CID 83169064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).