1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

C12H16ClNO2 — CID 116918735

IUPAC1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-12(2,14-3)11(15)9-6-5-8(16-4)7-10(9)13/h5-7,14H,1-4H3
InChIKeyIDHBPBFZMYPGHN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116918735) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116918735
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-12(2,14-3)11(15)9-6-5-8(16-4)7-10(9)13/h5-7,14H,1-4H3
InChIKeyIDHBPBFZMYPGHN-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653
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(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
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2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
4-(2-chloro-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 77055038
methyl (Z)-4-(2-chloro-4-methoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82551820
[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
CID 116921260
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566511

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 116918735) is 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is IDHBPBFZMYPGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,14-3)11(15)9-6-5-8(16-4)7-10(9)13/h5-7,14H,1-4H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 241.72 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116918735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).