1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone

C17H19NO — CID 82101223

IUPAC1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
SMILESCc1ccc(CNCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO/c1-13-3-7-15(8-4-13)11-18-12-17(19)16-9-5-14(2)6-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeyORRHSPYWLGAKIS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone

1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone (PubChem CID 82101223) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
PubChem CID82101223
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
SMILESCc1ccc(CNCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO/c1-13-3-7-15(8-4-13)11-18-12-17(19)16-9-5-14(2)6-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeyORRHSPYWLGAKIS-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497
2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257747
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492
1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101225
ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
CID 5019647
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
1-[2-[(4-methylphenyl)methylamino]ethylamino]propan-2-one
CID 21339507
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
CID 13430243

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone (CID 82101223) is 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone is Cc1ccc(CNCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone?
The InChIKey is ORRHSPYWLGAKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-3-7-15(8-4-13)11-18-12-17(19)16-9-5-14(2)6-10-16/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone?
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone is sourced from PubChem (CID 82101223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).