2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one

C10H12ClNO3 — CID 116920607

IUPAC2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
SMILESCOc1ccc(C(=O)C(N)CO)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-9-3-2-6(4-7(9)11)10(14)8(12)5-13/h2-4,8,13H,5,12H2,1H3
InChIKeyUJFSOXLOLQULAX-UHFFFAOYSA-N
MW229.66 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one

2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one (PubChem CID 116920607) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
PubChem CID116920607
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
SMILESCOc1ccc(C(=O)C(N)CO)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-9-3-2-6(4-7(9)11)10(14)8(12)5-13/h2-4,8,13H,5,12H2,1H3
InChIKeyUJFSOXLOLQULAX-UHFFFAOYSA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43144155
(2S)-2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 93257982
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1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
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1-(3-chloro-4-methoxyphenyl)-3-methylpentan-1-one
CID 114873991
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
methyl 3-amino-4-(3,4-dichlorophenyl)-4-oxobutanoate
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1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one (CID 116920607) is 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one is COc1ccc(C(=O)C(N)CO)cc1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one?
The InChIKey is UJFSOXLOLQULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-9-3-2-6(4-7(9)11)10(14)8(12)5-13/h2-4,8,13H,5,12H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one?
2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one has a molecular weight of 229.66 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 116920607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).