N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine

C18H26ClN — CID 63477306

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)C1CCCCC1
InChIInChI=1S/C18H26ClN/c1-13(14-5-3-2-4-6-14)20-18(15-7-8-15)16-9-11-17(19)12-10-16/h9-15,18,20H,2-8H2,1H3
InChIKeyQWKZWFWLRMNSBB-UHFFFAOYSA-N
MW291.87 g/mol
LogP5.35
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine (PubChem CID 63477306) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
PubChem CID63477306
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)C1CCCCC1
InChIInChI=1S/C18H26ClN/c1-13(14-5-3-2-4-6-14)20-18(15-7-8-15)16-9-11-17(19)12-10-16/h9-15,18,20H,2-8H2,1H3
InChIKeyQWKZWFWLRMNSBB-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
CID 115707063
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine (CID 63477306) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine is CC(NC(c1ccc(Cl)cc1)C1CC1)C1CCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine?
The InChIKey is QWKZWFWLRMNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-13(14-5-3-2-4-6-14)20-18(15-7-8-15)16-9-11-17(19)12-10-16/h9-15,18,20H,2-8H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine has a molecular weight of 291.87 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine is sourced from PubChem (CID 63477306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).