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

C18H20ClNO — CID 62980408

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO/c1-13-8-4-5-9-15(13)18(21)12-20(3)14(2)16-10-6-7-11-17(16)19/h4-11,14H,12H2,1-3H3
InChIKeyQILYQSQYHHLGFM-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.52
Rot. Bonds5

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

2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone (PubChem CID 62980408) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
PubChem CID62980408
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO/c1-13-8-4-5-9-15(13)18(21)12-20(3)14(2)16-10-6-7-11-17(16)19/h4-11,14H,12H2,1-3H3
InChIKeyQILYQSQYHHLGFM-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
1-(2-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662106
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone (CID 62980408) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone?
The InChIKey is QILYQSQYHHLGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-8-4-5-9-15(13)18(21)12-20(3)14(2)16-10-6-7-11-17(16)19/h4-11,14H,12H2,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone?
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone has a molecular weight of 301.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 62980408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).