methoxy-(3-methylphenyl)methanamine

C9H13NO — CID 116947345

IUPACmethoxy-(3-methylphenyl)methanamine
SMILESCOC(N)c1cccc(C)c1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6,9H,10H2,1-2H3
InChIKeyIVXYBRQOFBUVOC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds2

About methoxy-(3-methylphenyl)methanamine

methoxy-(3-methylphenyl)methanamine (PubChem CID 116947345) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is methoxy-(3-methylphenyl)methanamine.

Molecular Properties

Compound Namemethoxy-(3-methylphenyl)methanamine
PubChem CID116947345
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namemethoxy-(3-methylphenyl)methanamine
SMILESCOC(N)c1cccc(C)c1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6,9H,10H2,1-2H3
InChIKeyIVXYBRQOFBUVOC-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)-methoxymethanamine
CID 116947347
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
CID 156724864
CID 156724864
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
2-methoxy-2-(3-methylphenyl)acetaldehyde
CID 83826728
2,2-dimethoxy-N-methyl-1-(3-methylphenyl)ethanamine
CID 79493345
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882

Frequently Asked Questions

What is the IUPAC name of methoxy-(3-methylphenyl)methanamine?
The IUPAC name of methoxy-(3-methylphenyl)methanamine (CID 116947345) is methoxy-(3-methylphenyl)methanamine.
What is the SMILES notation for methoxy-(3-methylphenyl)methanamine?
The canonical SMILES for methoxy-(3-methylphenyl)methanamine is COC(N)c1cccc(C)c1.
What is the InChIKey of methoxy-(3-methylphenyl)methanamine?
The InChIKey is IVXYBRQOFBUVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6,9H,10H2,1-2H3.
What are the key properties of methoxy-(3-methylphenyl)methanamine?
methoxy-(3-methylphenyl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3-methylphenyl)methanamine is sourced from PubChem (CID 116947345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).