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

C17H18ClNO2 — CID 62980072

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(13-3-7-15(18)8-4-13)19(2)11-17(21)14-5-9-16(20)10-6-14/h3-10,12,20H,11H2,1-2H3
InChIKeyMTUAFHVUXUVKNM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.92
Rot. Bonds5

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

2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone (PubChem CID 62980072) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
PubChem CID62980072
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(13-3-7-15(18)8-4-13)19(2)11-17(21)14-5-9-16(20)10-6-14/h3-10,12,20H,11H2,1-2H3
InChIKeyMTUAFHVUXUVKNM-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone
CID 62980074
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 43796691
2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylprop-2-en-1-amine
CID 103067829
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733
3-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223481
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 107870506
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone (CID 62980072) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone is CC(c1ccc(Cl)cc1)N(C)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is MTUAFHVUXUVKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(13-3-7-15(18)8-4-13)19(2)11-17(21)14-5-9-16(20)10-6-14/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone?
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 303.79 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 62980072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).