1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine

C15H22ClN — CID 63527017

IUPAC1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
SMILESNC(CCC1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c16-14-8-5-13(6-9-14)11-15(17)10-7-12-3-1-2-4-12/h5-6,8-9,12,15H,1-4,7,10-11,17H2
InChIKeyPZHXVPYZQBDWNG-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine

1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine (PubChem CID 63527017) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
PubChem CID63527017
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
SMILESNC(CCC1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c16-14-8-5-13(6-9-14)11-15(17)10-7-12-3-1-2-4-12/h5-6,8-9,12,15H,1-4,7,10-11,17H2
InChIKeyPZHXVPYZQBDWNG-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
4-cyclohexyl-1-(furan-3-yl)butan-2-amine
CID 105029745
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
CID 65139954
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine
CID 83983242
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine (CID 63527017) is 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine is NC(CCC1CCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
The InChIKey is PZHXVPYZQBDWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-14-8-5-13(6-9-14)11-15(17)10-7-12-3-1-2-4-12/h5-6,8-9,12,15H,1-4,7,10-11,17H2.
What are the key properties of 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine?
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine has a molecular weight of 251.80 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine is sourced from PubChem (CID 63527017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).