N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine

C24H30ClN — CID 90688189

IUPACN-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine
SMILESCC(NCc1ccccc1)C1CC1c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C24H30ClN/c1-17(26-16-18-8-4-2-5-9-18)22-15-23(22)20-12-13-21(24(25)14-20)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,17,19,22-23,26H,3,6-7,10-11,15-16H2,1H3
InChIKeyORVWHUDJTVCIIY-UHFFFAOYSA-N
MW367.96 g/mol
LogP6.67
Rot. Bonds6

About N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine

N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine (PubChem CID 90688189) has the molecular formula C24H30ClN and a molecular weight of 367.96 g/mol. Its IUPAC name is N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine
PubChem CID90688189
Molecular FormulaC24H30ClN
Molecular Weight367.96 g/mol
Exact Mass367.21
IUPAC NameN-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine
SMILESCC(NCc1ccccc1)C1CC1c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C24H30ClN/c1-17(26-16-18-8-4-2-5-9-18)22-15-23(22)20-12-13-21(24(25)14-20)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,17,19,22-23,26H,3,6-7,10-11,15-16H2,1H3
InChIKeyORVWHUDJTVCIIY-UHFFFAOYSA-N
XLogP6.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.96
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine?
The IUPAC name of N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine (CID 90688189) is N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine is CC(NCc1ccccc1)C1CC1c1ccc(C2CCCCC2)c(Cl)c1.
What is the InChIKey of N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine?
The InChIKey is ORVWHUDJTVCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN/c1-17(26-16-18-8-4-2-5-9-18)22-15-23(22)20-12-13-21(24(25)14-20)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,17,19,22-23,26H,3,6-7,10-11,15-16H2,1H3.
What are the key properties of N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine?
N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine has a molecular weight of 367.96 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 90688189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).