2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone

C12H16ClNO2 — CID 117356480

IUPAC2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
SMILESCOc1cc(C(C)C)cc(C(=O)CN)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7(2)8-4-9(10(15)6-14)12(13)11(5-8)16-3/h4-5,7H,6,14H2,1-3H3
InChIKeyAFYOYMRIZBSMAD-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone

2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone (PubChem CID 117356480) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
PubChem CID117356480
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
SMILESCOc1cc(C(C)C)cc(C(=O)CN)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-7(2)8-4-9(10(15)6-14)12(13)11(5-8)16-3/h4-5,7H,6,14H2,1-3H3
InChIKeyAFYOYMRIZBSMAD-UHFFFAOYSA-N
XLogP2.61
TPSA52.32 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117458393
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430043
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848
3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid
CID 117458536
2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
CID 117351723
2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
CID 84785712
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone (CID 117356480) is 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone is COc1cc(C(C)C)cc(C(=O)CN)c1Cl.
What is the InChIKey of 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone?
The InChIKey is AFYOYMRIZBSMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(2)8-4-9(10(15)6-14)12(13)11(5-8)16-3/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone?
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone has a molecular weight of 241.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 117356480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).