2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine

C20H27N — CID 43495094

IUPAC2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)(C)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-15-21-19(17-13-11-16(2)12-14-17)20(3,4)18-9-7-6-8-10-18/h6-14,19,21H,5,15H2,1-4H3
InChIKeyJJDJZEQAVDLXCM-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.01
Rot. Bonds6

About 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine

2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 43495094) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
PubChem CID43495094
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)(C)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-15-21-19(17-13-11-16(2)12-14-17)20(3,4)18-9-7-6-8-10-18/h6-14,19,21H,5,15H2,1-4H3
InChIKeyJJDJZEQAVDLXCM-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-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

2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
2-methyl-2-phenyl-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 63084520
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 43494143
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 114650522
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine (CID 43495094) is 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine is CCCNC(c1ccc(C)cc1)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is JJDJZEQAVDLXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-15-21-19(17-13-11-16(2)12-14-17)20(3,4)18-9-7-6-8-10-18/h6-14,19,21H,5,15H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine?
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 43495094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).