1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one

C13H18ClNO — CID 70894923

IUPAC1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one
SMILESCc1cc(Cl)ccc1C(=O)C(C)CN(C)C
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)5-6-12(9)13(16)10(2)8-15(3)4/h5-7,10H,8H2,1-4H3
InChIKeyGEBHZJCRCLRGMI-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one

1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one (PubChem CID 70894923) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one
PubChem CID70894923
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one
SMILESCc1cc(Cl)ccc1C(=O)C(C)CN(C)C
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)5-6-12(9)13(16)10(2)8-15(3)4/h5-7,10H,8H2,1-4H3
InChIKeyGEBHZJCRCLRGMI-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(dimethylamino)-2-methylpropan-1-one
CID 70587661
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
[4-(1-bromoethyl)piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone
CID 114028204
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one (CID 70894923) is 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one is Cc1cc(Cl)ccc1C(=O)C(C)CN(C)C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is GEBHZJCRCLRGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-11(14)5-6-12(9)13(16)10(2)8-15(3)4/h5-7,10H,8H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one?
1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 239.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 70894923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).