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

C25H27NO2 — CID 158895145

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone
SMILESCc1cccc(-c2ccccc2CC(=O)c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C25H27NO2/c1-19-7-6-9-21(17-19)24-10-5-4-8-22(24)18-25(27)20-11-13-23(14-12-20)28-16-15-26(2)3/h4-14,17H,15-16,18H2,1-3H3
InChIKeyXZGZIUWLOYWUTN-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.03
Rot. Bonds8

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

1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone (PubChem CID 158895145) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone
PubChem CID158895145
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone
SMILESCc1cccc(-c2ccccc2CC(=O)c2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C25H27NO2/c1-19-7-6-9-21(17-19)24-10-5-4-8-22(24)18-25(27)20-11-13-23(14-12-20)28-16-15-26(2)3/h4-14,17H,15-16,18H2,1-3H3
InChIKeyXZGZIUWLOYWUTN-UHFFFAOYSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
7-[2-(dimethylamino)ethoxy]-6-methoxy-3-[2-[4-methoxy-3-(3-methylphenyl)phenyl]-2-oxoethyl]-8-methylchromen-2-one
CID 58214755
2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(4-fluorophenyl)phenyl]pentan-1-one
CID 138667876
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one
CID 138635015
1-(4-ethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389764
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
(2S)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(4-fluorophenyl)phenyl]-4-methylpentan-1-one
CID 138667439
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
CID 153405908
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone (CID 158895145) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone is Cc1cccc(-c2ccccc2CC(=O)c2ccc(OCCN(C)C)cc2)c1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone?
The InChIKey is XZGZIUWLOYWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19-7-6-9-21(17-19)24-10-5-4-8-22(24)18-25(27)20-11-13-23(14-12-20)28-16-15-26(2)3/h4-14,17H,15-16,18H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone?
1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(3-methylphenyl)phenyl]ethanone is sourced from PubChem (CID 158895145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).