1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine

C17H26ClN — CID 81386564

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
SMILESCCCC(N[C@@H](C)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-3-6-17(15-9-11-16(18)12-10-15)19-13(2)14-7-4-5-8-14/h9-14,17,19H,3-8H2,1-2H3/t13-,17?/m0/s1
InChIKeyAIXLBZGZFHQNFR-CWQZNGJJSA-N
MW279.86 g/mol
LogP5.35
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine

1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine (PubChem CID 81386564) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
PubChem CID81386564
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
SMILESCCCC(N[C@@H](C)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-3-6-17(15-9-11-16(18)12-10-15)19-13(2)14-7-4-5-8-14/h9-14,17,19H,3-8H2,1-2H3/t13-,17?/m0/s1
InChIKeyAIXLBZGZFHQNFR-CWQZNGJJSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine (CID 81386564) is 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine is CCCC(N[C@@H](C)C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine?
The InChIKey is AIXLBZGZFHQNFR-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-6-17(15-9-11-16(18)12-10-15)19-13(2)14-7-4-5-8-14/h9-14,17,19H,3-8H2,1-2H3/t13-,17?/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine is sourced from PubChem (CID 81386564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).