1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone

C16H17ClN2O — CID 43228057

IUPAC1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
SMILESCN(CCc1ccccn1)CC(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-19(11-9-13-6-4-5-10-18-13)12-16(20)14-7-2-3-8-15(14)17/h2-8,10H,9,11-12H2,1H3
InChIKeyWXBMLFLPTZPLJG-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.09
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone

1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone (PubChem CID 43228057) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
PubChem CID43228057
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
SMILESCN(CCc1ccccn1)CC(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-19(11-9-13-6-4-5-10-18-13)12-16(20)14-7-2-3-8-15(14)17/h2-8,10H,9,11-12H2,1H3
InChIKeyWXBMLFLPTZPLJG-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43794216
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 75517351

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone (CID 43228057) is 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone is CN(CCc1ccccn1)CC(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
The InChIKey is WXBMLFLPTZPLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(11-9-13-6-4-5-10-18-13)12-16(20)14-7-2-3-8-15(14)17/h2-8,10H,9,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone has a molecular weight of 288.78 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone is sourced from PubChem (CID 43228057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).