1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine

C17H27ClN2 — CID 63624404

IUPAC1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Cl)cc1)N1CCCC(C)CC1
InChIInChI=1S/C17H27ClN2/c1-3-16(19)17(14-6-8-15(18)9-7-14)20-11-4-5-13(2)10-12-20/h6-9,13,16-17H,3-5,10-12,19H2,1-2H3
InChIKeyFKQFZDYVAJKOQL-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine

1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine (PubChem CID 63624404) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
PubChem CID63624404
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Cl)cc1)N1CCCC(C)CC1
InChIInChI=1S/C17H27ClN2/c1-3-16(19)17(14-6-8-15(18)9-7-14)20-11-4-5-13(2)10-12-20/h6-9,13,16-17H,3-5,10-12,19H2,1-2H3
InChIKeyFKQFZDYVAJKOQL-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylazepan-1-yl)-1-pyridin-3-ylbutan-2-amine
CID 63622936
1-(4-chlorophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79182425
1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55015329
1-[2-amino-1-(4-chlorophenyl)butyl]-4-methylazepan-4-ol
CID 107403919
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
4-[2-amino-1-(4-chlorophenyl)butyl]-1,4-diazepan-2-one
CID 65361217
1-(4-bromothiophen-2-yl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624050
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine (CID 63624404) is 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine is CCC(N)C(c1ccc(Cl)cc1)N1CCCC(C)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine?
The InChIKey is FKQFZDYVAJKOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-16(19)17(14-6-8-15(18)9-7-14)20-11-4-5-13(2)10-12-20/h6-9,13,16-17H,3-5,10-12,19H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine?
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine is sourced from PubChem (CID 63624404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).