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

C12H16ClNO2 — CID 84702895

IUPAC2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
SMILESCOc1cc(Cl)cc(C(=O)CN)c1C(C)C
InChIInChI=1S/C12H16ClNO2/c1-7(2)12-9(10(15)6-14)4-8(13)5-11(12)16-3/h4-5,7H,6,14H2,1-3H3
InChIKeyCBWIBDDKQMWPLC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.61
Rot. Bonds4

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

2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone (PubChem CID 84702895) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
PubChem CID84702895
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
SMILESCOc1cc(Cl)cc(C(=O)CN)c1C(C)C
InChIInChI=1S/C12H16ClNO2/c1-7(2)12-9(10(15)6-14)4-8(13)5-11(12)16-3/h4-5,7H,6,14H2,1-3H3
InChIKeyCBWIBDDKQMWPLC-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

2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
3-amino-3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117432171
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430045
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117395312
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)butanal
CID 117390184
2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone
CID 117364277

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone (CID 84702895) is 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone is COc1cc(Cl)cc(C(=O)CN)c1C(C)C.
What is the InChIKey of 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone?
The InChIKey is CBWIBDDKQMWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(2)12-9(10(15)6-14)4-8(13)5-11(12)16-3/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone?
2-amino-1-(5-chloro-3-methoxy-2-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-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 84702895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).