1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine

C19H25N — CID 62048044

IUPAC1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C19H25N/c1-5-19(17-9-7-6-8-10-17)20-13-18-15(3)11-14(2)12-16(18)4/h6-12,19-20H,5,13H2,1-4H3
InChIKeyKDGVCLVVJGFNTO-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.85
Rot. Bonds5

About 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine

1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine (PubChem CID 62048044) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
PubChem CID62048044
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C19H25N/c1-5-19(17-9-7-6-8-10-17)20-13-18-15(3)11-14(2)12-16(18)4/h6-12,19-20H,5,13H2,1-4H3
InChIKeyKDGVCLVVJGFNTO-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62759378
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
CID 106882518
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54807226
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine (CID 62048044) is 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine is CCC(NCc1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is KDGVCLVVJGFNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-19(17-9-7-6-8-10-17)20-13-18-15(3)11-14(2)12-16(18)4/h6-12,19-20H,5,13H2,1-4H3.
What are the key properties of 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62048044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).