1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one

C12H16ClNO2 — CID 115234566

IUPAC1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
SMILESCOc1cc(C)c(Cl)cc1N(C)CC(C)=O
InChIInChI=1S/C12H16ClNO2/c1-8-5-12(16-4)11(6-10(8)13)14(3)7-9(2)15/h5-6H,7H2,1-4H3
InChIKeyQNOPPKNBXPZIDQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.68
Rot. Bonds4

About 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one

1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one (PubChem CID 115234566) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
PubChem CID115234566
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
SMILESCOc1cc(C)c(Cl)cc1N(C)CC(C)=O
InChIInChI=1S/C12H16ClNO2/c1-8-5-12(16-4)11(6-10(8)13)14(3)7-9(2)15/h5-6H,7H2,1-4H3
InChIKeyQNOPPKNBXPZIDQ-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
CID 115234582
(E)-4-(5-chloro-2-methoxy-N,4-dimethylanilino)but-2-enoic acid
CID 115236996
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]butan-2-one
CID 115235800
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 115259987
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
CID 115190631
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one?
The IUPAC name of 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one (CID 115234566) is 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one is COc1cc(C)c(Cl)cc1N(C)CC(C)=O.
What is the InChIKey of 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one?
The InChIKey is QNOPPKNBXPZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-5-12(16-4)11(6-10(8)13)14(3)7-9(2)15/h5-6H,7H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one?
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one has a molecular weight of 241.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one is sourced from PubChem (CID 115234566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).