1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine

C16H18ClN — CID 43184848

IUPAC1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(c1ccccc1)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-16(2,13-6-4-3-5-7-13)15(18)12-8-10-14(17)11-9-12/h3-11,15H,18H2,1-2H3
InChIKeyYPMZIFZSSHCHNQ-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.32
Rot. Bonds3

About 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine

1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 43184848) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID43184848
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(c1ccccc1)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-16(2,13-6-4-3-5-7-13)15(18)12-8-10-14(17)11-9-12/h3-11,15H,18H2,1-2H3
InChIKeyYPMZIFZSSHCHNQ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine (CID 43184848) is 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine is CC(C)(c1ccccc1)C(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is YPMZIFZSSHCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-16(2,13-6-4-3-5-7-13)15(18)12-8-10-14(17)11-9-12/h3-11,15H,18H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine?
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 43184848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).