2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

C17H18ClNO — CID 116613287

IUPAC2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-19-11-10-13-6-2-4-8-15(13)17(20)12-14-7-3-5-9-16(14)18/h2-9,19H,10-12H2,1H3
InChIKeyNYXYGJHQTRVLSS-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.53
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (PubChem CID 116613287) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
PubChem CID116613287
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-19-11-10-13-6-2-4-8-15(13)17(20)12-14-7-3-5-9-16(14)18/h2-9,19H,10-12H2,1H3
InChIKeyNYXYGJHQTRVLSS-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
2-[2-(methylamino)ethyl]benzamide
CID 69094527
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547383
2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
CID 115464549
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (CID 116613287) is 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is CNCCc1ccccc1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The InChIKey is NYXYGJHQTRVLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-11-10-13-6-2-4-8-15(13)17(20)12-14-7-3-5-9-16(14)18/h2-9,19H,10-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone has a molecular weight of 287.79 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is sourced from PubChem (CID 116613287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).