2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine

C16H18ClN — CID 82090050

IUPAC2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-16(2,11-18)14-7-3-12(4-8-14)13-5-9-15(17)10-6-13/h3-10H,11,18H2,1-2H3
InChIKeyXXHXJJBGYJMLMF-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.24
Rot. Bonds3

About 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine

2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine (PubChem CID 82090050) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
PubChem CID82090050
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-16(2,11-18)14-7-3-12(4-8-14)13-5-9-15(17)10-6-13/h3-10H,11,18H2,1-2H3
InChIKeyXXHXJJBGYJMLMF-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Didesmethylsibutramine hydrochloride
CID 134771
2-(4-Chlorophenyl)ethylamine
CID 67430
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
(4-Chlorophenyl)(phenyl)methanamine
CID 409810
[1-(4-Chlorophenyl)cyclohexyl]methanamine
CID 12335824
Didesmethylsibutramine
CID 134772
CID 16192591
CID 16192591
1-(1-(4-chlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 21365270
1-(1-(3,4-Dichlorophenyl)cyclohexyl)propan-1-amine
CID 24860831
1-(1-(3,4-Dichlorophenyl)cyclohexyl)ethanamine
CID 24860904
(1-(3,4-Dichlorophenyl)Cyclohexyl)Methanamine
CID 43164282
1-(1-(3-chlorophenyl)cyclohexyl)-N-methylmethanamine
CID 53317167

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine (CID 82090050) is 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine is CC(C)(CN)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is XXHXJJBGYJMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-16(2,11-18)14-7-3-12(4-8-14)13-5-9-15(17)10-6-13/h3-10H,11,18H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine?
2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82090050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).