2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one

C11H14ClNO3 — CID 84704073

IUPAC2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
SMILESCOc1cc(Cl)c(C)c(C(=O)C(C)N)c1O
InChIInChI=1S/C11H14ClNO3/c1-5-7(12)4-8(16-3)11(15)9(5)10(14)6(2)13/h4,6,15H,13H2,1-3H3
InChIKeyBMEFYQUMYPDRMZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one

2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one (PubChem CID 84704073) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
PubChem CID84704073
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
SMILESCOc1cc(Cl)c(C)c(C(=O)C(C)N)c1O
InChIInChI=1S/C11H14ClNO3/c1-5-7(12)4-8(16-3)11(15)9(5)10(14)6(2)13/h4,6,15H,13H2,1-3H3
InChIKeyBMEFYQUMYPDRMZ-UHFFFAOYSA-N
XLogP1.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
CID 117329541
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 84691459
3-amino-3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propanoic acid
CID 117437001
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
4-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)butanoic acid
CID 117400546
2-amino-1-(2-bromo-6-methoxyphenyl)propan-1-one
CID 84709286
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one (CID 84704073) is 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one is COc1cc(Cl)c(C)c(C(=O)C(C)N)c1O.
What is the InChIKey of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one?
The InChIKey is BMEFYQUMYPDRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-5-7(12)4-8(16-3)11(15)9(5)10(14)6(2)13/h4,6,15H,13H2,1-3H3.
What are the key properties of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one?
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one has a molecular weight of 243.69 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one is sourced from PubChem (CID 84704073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).