2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone

C18H21NO2 — CID 71497144

IUPAC2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
SMILESCCOc1cccc(CN(C)CC(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-3-21-17-11-7-8-15(12-17)13-19(2)14-18(20)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3
InChIKeyJVECYEHXCLCQJQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds7

About 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone

2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone (PubChem CID 71497144) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
PubChem CID71497144
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
SMILESCCOc1cccc(CN(C)CC(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-3-21-17-11-7-8-15(12-17)13-19(2)14-18(20)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3
InChIKeyJVECYEHXCLCQJQ-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
CID 39453886
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034992
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62037153
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
CID 21420217

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone?
The IUPAC name of 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone (CID 71497144) is 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone?
The canonical SMILES for 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone is CCOc1cccc(CN(C)CC(=O)c2ccccc2)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone?
The InChIKey is JVECYEHXCLCQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-17-11-7-8-15(12-17)13-19(2)14-18(20)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone?
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone has a molecular weight of 283.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone is sourced from PubChem (CID 71497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).