N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine

C17H24ClN — CID 43224358

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H24ClN/c1-12-4-2-3-5-16(12)19-17(13-6-7-13)14-8-10-15(18)11-9-14/h8-13,16-17,19H,2-7H2,1H3
InChIKeyDDXGBRQBLDYGSL-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.96
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine (PubChem CID 43224358) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
PubChem CID43224358
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H24ClN/c1-12-4-2-3-5-16(12)19-17(13-6-7-13)14-8-10-15(18)11-9-14/h8-13,16-17,19H,2-7H2,1H3
InChIKeyDDXGBRQBLDYGSL-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43763457
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171468
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
CID 115707064
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792606
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
CID 43792315
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine (CID 43224358) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine?
The InChIKey is DDXGBRQBLDYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-12-4-2-3-5-16(12)19-17(13-6-7-13)14-8-10-15(18)11-9-14/h8-13,16-17,19H,2-7H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine has a molecular weight of 277.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43224358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).