4-[4-(4-chlorophenyl)phenyl]butan-2-amine

C16H18ClN — CID 82541976

IUPAC4-[4-(4-chlorophenyl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-12(18)2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-12H,2-3,18H2,1H3
InChIKeyGVAGJWYUSNMCBH-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.29
Rot. Bonds4

About 4-[4-(4-chlorophenyl)phenyl]butan-2-amine

4-[4-(4-chlorophenyl)phenyl]butan-2-amine (PubChem CID 82541976) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]butan-2-amine
PubChem CID82541976
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-[4-(4-chlorophenyl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-12(18)2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-12H,2-3,18H2,1H3
InChIKeyGVAGJWYUSNMCBH-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[4-(4-chlorophenyl)phenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
4-(4-pyrimidin-5-ylphenyl)butan-2-amine
CID 82542215
4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine
CID 82541745
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(4-chlorophenyl)propan-2-amine
CID 3127
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]butan-2-amine (CID 82541976) is 4-[4-(4-chlorophenyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]butan-2-amine is CC(N)CCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]butan-2-amine?
The InChIKey is GVAGJWYUSNMCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12(18)2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-12H,2-3,18H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]butan-2-amine?
4-[4-(4-chlorophenyl)phenyl]butan-2-amine has a molecular weight of 259.78 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]butan-2-amine is sourced from PubChem (CID 82541976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).