1-[3-methoxy-5-(methylamino)phenyl]ethanone

C10H13NO2 — CID 137398658

IUPAC1-[3-methoxy-5-(methylamino)phenyl]ethanone
SMILESCNc1cc(OC)cc(C(C)=O)c1
InChIInChI=1S/C10H13NO2/c1-7(12)8-4-9(11-2)6-10(5-8)13-3/h4-6,11H,1-3H3
InChIKeyLNHNHKVCPNRNKI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.94
Rot. Bonds3

About 1-[3-methoxy-5-(methylamino)phenyl]ethanone

1-[3-methoxy-5-(methylamino)phenyl]ethanone (PubChem CID 137398658) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[3-methoxy-5-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-5-(methylamino)phenyl]ethanone
PubChem CID137398658
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[3-methoxy-5-(methylamino)phenyl]ethanone
SMILESCNc1cc(OC)cc(C(C)=O)c1
InChIInChI=1S/C10H13NO2/c1-7(12)8-4-9(11-2)6-10(5-8)13-3/h4-6,11H,1-3H3
InChIKeyLNHNHKVCPNRNKI-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
ethane;1-(3-hydroxy-5-methoxyphenyl)ethanone
CID 145053959
3-acetyl-5-(methylamino)benzamide
CID 143405915
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
1-[3-(chloromethyl)-5-methoxyphenyl]ethanone
CID 70550053
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide
CID 1209253
1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
CID 142513776
1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone
CID 166935705

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-5-(methylamino)phenyl]ethanone (CID 137398658) is 1-[3-methoxy-5-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-5-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-5-(methylamino)phenyl]ethanone is CNc1cc(OC)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-methoxy-5-(methylamino)phenyl]ethanone?
The InChIKey is LNHNHKVCPNRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(12)8-4-9(11-2)6-10(5-8)13-3/h4-6,11H,1-3H3.
What are the key properties of 1-[3-methoxy-5-(methylamino)phenyl]ethanone?
1-[3-methoxy-5-(methylamino)phenyl]ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(methylamino)phenyl]ethanone is sourced from PubChem (CID 137398658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).