1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine

C19H24ClN — CID 43781909

IUPAC1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCc1cccc(C(C)NC(c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H24ClN/c1-13(2)19(16-8-10-18(20)11-9-16)21-15(4)17-7-5-6-14(3)12-17/h5-13,15,19,21H,1-4H3
InChIKeyIQIPNZXKOMLOLV-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.70
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine

1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 43781909) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID43781909
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCc1cccc(C(C)NC(c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H24ClN/c1-13(2)19(16-8-10-18(20)11-9-16)21-15(4)17-7-5-6-14(3)12-17/h5-13,15,19,21H,1-4H3
InChIKeyIQIPNZXKOMLOLV-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-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

Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360674
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685384
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
N-[(1R)-1-(3-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81369437
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine (CID 43781909) is 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine is Cc1cccc(C(C)NC(c2ccc(Cl)cc2)C(C)C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is IQIPNZXKOMLOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-13(2)19(16-8-10-18(20)11-9-16)21-15(4)17-7-5-6-14(3)12-17/h5-13,15,19,21H,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.70, 5 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-N-[1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43781909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).