2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine

C16H24ClN — CID 114192541

IUPAC2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
SMILESCNCC(CCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-18-12-15(7-6-13-4-2-3-5-13)14-8-10-16(17)11-9-14/h8-11,13,15,18H,2-7,12H2,1H3
InChIKeyVCVNIHVNOFLPOB-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds6

About 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine

2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine (PubChem CID 114192541) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
PubChem CID114192541
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
SMILESCNCC(CCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-18-12-15(7-6-13-4-2-3-5-13)14-8-10-16(17)11-9-14/h8-11,13,15,18H,2-7,12H2,1H3
InChIKeyVCVNIHVNOFLPOB-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine (CID 114192541) is 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine is CNCC(CCC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine?
The InChIKey is VCVNIHVNOFLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-18-12-15(7-6-13-4-2-3-5-13)14-8-10-16(17)11-9-14/h8-11,13,15,18H,2-7,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine?
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine is sourced from PubChem (CID 114192541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).