1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone

C17H19NO — CID 83313035

IUPAC1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-4-5-13(2)16(10-12)11-18-17-8-6-15(7-9-17)14(3)19/h4-10,18H,11H2,1-3H3
InChIKeyVEFZMZAQGBLEMH-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone

1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone (PubChem CID 83313035) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
PubChem CID83313035
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-4-5-13(2)16(10-12)11-18-17-8-6-15(7-9-17)14(3)19/h4-10,18H,11H2,1-3H3
InChIKeyVEFZMZAQGBLEMH-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
N-[(2,5-dimethylphenyl)methyl]-4-ethylsulfonylaniline
CID 60711317
N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
4-[(4-acetylanilino)methyl]-7,8-dimethylchromen-2-one
CID 9345895
methyl 5-[(2,5-dimethylphenyl)methylamino]-2-fluorobenzoate
CID 60732379
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
N-[(2,5-dimethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 61062837

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone (CID 83313035) is 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone is CC(=O)c1ccc(NCc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone?
The InChIKey is VEFZMZAQGBLEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-5-13(2)16(10-12)11-18-17-8-6-15(7-9-17)14(3)19/h4-10,18H,11H2,1-3H3.
What are the key properties of 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone?
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 83313035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).