2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride

C16H18ClNO2 — CID 70190872

IUPAC2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
SMILESCNCC(=O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-17-11-16(18)14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13;/h2-10,17H,11-12H2,1H3;1H
InChIKeyFLKOQLNZIZQIOA-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.09
Rot. Bonds6

About 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride

2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride (PubChem CID 70190872) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
PubChem CID70190872
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
SMILESCNCC(=O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-17-11-16(18)14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13;/h2-10,17H,11-12H2,1H3;1H
InChIKeyFLKOQLNZIZQIOA-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride 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-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate
CID 10401562
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
CID 117283877
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
2-(methylamino)-1-(3-phenylphenyl)ethanone
CID 117324006
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride (CID 70190872) is 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride is CNCC(=O)c1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
The InChIKey is FLKOQLNZIZQIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-17-11-16(18)14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13;/h2-10,17H,11-12H2,1H3;1H.
What are the key properties of 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 70190872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).