3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one

C11H14ClNO3 — CID 116826612

IUPAC3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one
SMILESCOc1c(C)cc(Cl)cc1C(=O)C(O)CN
InChIInChI=1S/C11H14ClNO3/c1-6-3-7(12)4-8(11(6)16-2)10(15)9(14)5-13/h3-4,9,14H,5,13H2,1-2H3
InChIKeyDZSJIKNABXETHH-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one

3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one (PubChem CID 116826612) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one
PubChem CID116826612
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one
SMILESCOc1c(C)cc(Cl)cc1C(=O)C(O)CN
InChIInChI=1S/C11H14ClNO3/c1-6-3-7(12)4-8(11(6)16-2)10(15)9(14)5-13/h3-4,9,14H,5,13H2,1-2H3
InChIKeyDZSJIKNABXETHH-UHFFFAOYSA-N
XLogP1.16
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxy-3-methylphenyl)methanone
CID 116921253
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
3-amino-2-hydroxy-1-(4-methoxy-2,3,6-trimethylphenyl)propan-1-one
CID 116826679
3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
CID 82499843
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
(2E,4E)-5-(5-chloro-2-methoxy-3-methylphenyl)hexa-2,4-dienoic acid
CID 116822547
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
2-bromo-2-chloro-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 116863877
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one?
The IUPAC name of 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one (CID 116826612) is 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one?
The canonical SMILES for 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one is COc1c(C)cc(Cl)cc1C(=O)C(O)CN.
What is the InChIKey of 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one?
The InChIKey is DZSJIKNABXETHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-3-7(12)4-8(11(6)16-2)10(15)9(14)5-13/h3-4,9,14H,5,13H2,1-2H3.
What are the key properties of 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one?
3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one has a molecular weight of 243.69 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 116826612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).