1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone

C17H18ClNO2 — CID 79589980

IUPAC1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)c2cccc(Cl)c2)cc1O
InChIInChI=1S/C17H18ClNO2/c1-11(13-5-4-6-14(18)9-13)19(3)15-7-8-16(12(2)20)17(21)10-15/h4-11,21H,1-3H3
InChIKeyLCWXLNFWJLWUBX-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone

1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone (PubChem CID 79589980) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
PubChem CID79589980
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)c2cccc(Cl)c2)cc1O
InChIInChI=1S/C17H18ClNO2/c1-11(13-5-4-6-14(18)9-13)19(3)15-7-8-16(12(2)20)17(21)10-15/h4-11,21H,1-3H3
InChIKeyLCWXLNFWJLWUBX-UHFFFAOYSA-N
XLogP4.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
4-(bromomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 107083095
4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide
CID 62944562
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
CID 62979796
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone (CID 79589980) is 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(N(C)C(C)c2cccc(Cl)c2)cc1O.
What is the InChIKey of 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone?
The InChIKey is LCWXLNFWJLWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(13-5-4-6-14(18)9-13)19(3)15-7-8-16(12(2)20)17(21)10-15/h4-11,21H,1-3H3.
What are the key properties of 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone?
1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone has a molecular weight of 303.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79589980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).