2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone

C12H16ClNO2 — CID 117115546

IUPAC2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
SMILESCOc1c(C)c(C)c(C(=O)CN)c(C)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-6-7(2)12(16-4)11(13)8(3)10(6)9(15)5-14/h5,14H2,1-4H3
InChIKeyKUXHOKVWBCNCSO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone

2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone (PubChem CID 117115546) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
PubChem CID117115546
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
SMILESCOc1c(C)c(C)c(C(=O)CN)c(C)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-6-7(2)12(16-4)11(13)8(3)10(6)9(15)5-14/h5,14H2,1-4H3
InChIKeyKUXHOKVWBCNCSO-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 117423184
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
3-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)butan-1-one
CID 116915663
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
CID 13202156
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
CID 84693050
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone (CID 117115546) is 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone is COc1c(C)c(C)c(C(=O)CN)c(C)c1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone?
The InChIKey is KUXHOKVWBCNCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-6-7(2)12(16-4)11(13)8(3)10(6)9(15)5-14/h5,14H2,1-4H3.
What are the key properties of 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone?
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone has a molecular weight of 241.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone is sourced from PubChem (CID 117115546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).