1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine

C17H26ClN — CID 63450134

IUPAC1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
SMILESCCCC(NCCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-2-5-17(15-8-10-16(18)11-9-15)19-13-12-14-6-3-4-7-14/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyRODQUSASCCKABR-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.35
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine

1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine (PubChem CID 63450134) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
PubChem CID63450134
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
SMILESCCCC(NCCC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-2-5-17(15-8-10-16(18)11-9-15)19-13-12-14-6-3-4-7-14/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyRODQUSASCCKABR-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine (CID 63450134) is 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine is CCCC(NCCC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine?
The InChIKey is RODQUSASCCKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-2-5-17(15-8-10-16(18)11-9-15)19-13-12-14-6-3-4-7-14/h8-11,14,17,19H,2-7,12-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine?
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine is sourced from PubChem (CID 63450134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).