1-(3-amino-2-methylphenyl)-2-methoxyethanone

C10H13NO2 — CID 116604310

IUPAC1-(3-amino-2-methylphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1cccc(N)c1C
InChIInChI=1S/C10H13NO2/c1-7-8(10(12)6-13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeySXXMWKMRRBCEAS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.41
Rot. Bonds3

About 1-(3-amino-2-methylphenyl)-2-methoxyethanone

1-(3-amino-2-methylphenyl)-2-methoxyethanone (PubChem CID 116604310) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-2-methoxyethanone
PubChem CID116604310
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(3-amino-2-methylphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1cccc(N)c1C
InChIInChI=1S/C10H13NO2/c1-7-8(10(12)6-13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeySXXMWKMRRBCEAS-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
1-(3-amino-2-methylphenyl)-3-methylsulfonylpropan-1-one
CID 116604440
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61485788
1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 116604407
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
1-(3-amino-2-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 116604431
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
1-(3-amino-2-methylphenyl)-2-methylprop-2-en-1-one
CID 116604333
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82092906
1-[2-(2-aminoethyl)phenyl]-2-methoxyethanone
CID 116577397

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)-2-methoxyethanone?
The IUPAC name of 1-(3-amino-2-methylphenyl)-2-methoxyethanone (CID 116604310) is 1-(3-amino-2-methylphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-2-methoxyethanone is COCC(=O)c1cccc(N)c1C.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-2-methoxyethanone?
The InChIKey is SXXMWKMRRBCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-8(10(12)6-13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylphenyl)-2-methoxyethanone?
1-(3-amino-2-methylphenyl)-2-methoxyethanone has a molecular weight of 179.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylphenyl)-2-methoxyethanone is sourced from PubChem (CID 116604310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).