1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone

C17H19NO — CID 114468210

IUPAC1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCCc2cccc(C)c2)cc1
InChIInChI=1S/C17H19NO/c1-13-4-3-5-15(12-13)10-11-18-17-8-6-16(7-9-17)14(2)19/h3-9,12,18H,10-11H2,1-2H3
InChIKeyTVERZKADBIBZHV-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.85
Rot. Bonds5

About 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone

1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone (PubChem CID 114468210) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
PubChem CID114468210
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCCc2cccc(C)c2)cc1
InChIInChI=1S/C17H19NO/c1-13-4-3-5-15(12-13)10-11-18-17-8-6-16(7-9-17)14(2)19/h3-9,12,18H,10-11H2,1-2H3
InChIKeyTVERZKADBIBZHV-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
3-bromo-4-[2-(3-methylphenyl)ethylamino]benzoic acid
CID 82801091

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone (CID 114468210) is 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone is CC(=O)c1ccc(NCCc2cccc(C)c2)cc1.
What is the InChIKey of 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone?
The InChIKey is TVERZKADBIBZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-4-3-5-15(12-13)10-11-18-17-8-6-16(7-9-17)14(2)19/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone?
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 114468210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).