2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone

C13H18ClNO3 — CID 117432238

IUPAC2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
SMILESCOc1cc(C(C)C)c(Cl)c(C(=O)CN)c1OC
InChIInChI=1S/C13H18ClNO3/c1-7(2)8-5-10(17-3)13(18-4)11(12(8)14)9(16)6-15/h5,7H,6,15H2,1-4H3
InChIKeyFSGNTXVSCMTDBD-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone

2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone (PubChem CID 117432238) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
PubChem CID117432238
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
SMILESCOc1cc(C(C)C)c(Cl)c(C(=O)CN)c1OC
InChIInChI=1S/C13H18ClNO3/c1-7(2)8-5-10(17-3)13(18-4)11(12(8)14)9(16)6-15/h5,7H,6,15H2,1-4H3
InChIKeyFSGNTXVSCMTDBD-UHFFFAOYSA-N
XLogP2.62
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
CID 117359258
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2-amino-1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)ethanone
CID 117461159
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone (CID 117432238) is 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone is COc1cc(C(C)C)c(Cl)c(C(=O)CN)c1OC.
What is the InChIKey of 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone?
The InChIKey is FSGNTXVSCMTDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-7(2)8-5-10(17-3)13(18-4)11(12(8)14)9(16)6-15/h5,7H,6,15H2,1-4H3.
What are the key properties of 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone?
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone has a molecular weight of 271.74 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 117432238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).