3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine

C20H27N — CID 81027985

IUPAC3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-12-21-15-20(18-8-6-5-7-9-18)14-19-11-10-16(2)13-17(19)3/h5-11,13,20-21H,4,12,14-15H2,1-3H3
InChIKeyHVFQTWZQLKUYBV-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.63
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine

3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 81027985) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
PubChem CID81027985
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-12-21-15-20(18-8-6-5-7-9-18)14-19-11-10-16(2)13-17(19)3/h5-11,13,20-21H,4,12,14-15H2,1-3H3
InChIKeyHVFQTWZQLKUYBV-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590
N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 66438254
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
CID 81024221
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
2-phenyl-N-propylnonan-1-amine
CID 65429485
3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436514

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine (CID 81027985) is 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine is CCCNCC(Cc1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is HVFQTWZQLKUYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-12-21-15-20(18-8-6-5-7-9-18)14-19-11-10-16(2)13-17(19)3/h5-11,13,20-21H,4,12,14-15H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine?
3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 81027985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).