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

C20H27N — CID 81028590

IUPAC3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(CNC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H27N/c1-15(2)21-14-20(18-8-6-5-7-9-18)13-19-11-10-16(3)12-17(19)4/h5-12,15,20-21H,13-14H2,1-4H3
InChIKeyUATGSXHBPGZGRH-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.63
Rot. Bonds6

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

3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 81028590) 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-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID81028590
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CC(CNC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H27N/c1-15(2)21-14-20(18-8-6-5-7-9-18)13-19-11-10-16(3)12-17(19)4/h5-12,15,20-21H,13-14H2,1-4H3
InChIKeyUATGSXHBPGZGRH-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 81027985
2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
CID 23322164
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024535
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
CID 63462083
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine (CID 81028590) is 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine is Cc1ccc(CC(CNC(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is UATGSXHBPGZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)21-14-20(18-8-6-5-7-9-18)13-19-11-10-16(3)12-17(19)4/h5-12,15,20-21H,13-14H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.63, 6 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-propan-2-ylpropan-1-amine is sourced from PubChem (CID 81028590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).