1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine

C13H20N2O — CID 115207484

IUPAC1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CNC2)cc1C
InChIInChI=1S/C13H20N2O/c1-10-5-11(3-4-13(10)16-2)6-14-7-12-8-15-9-12/h3-5,12,14-15H,6-9H2,1-2H3
InChIKeyXLGQUJOBOREXDO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.31
Rot. Bonds5

About 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine

1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine (PubChem CID 115207484) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
PubChem CID115207484
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CNC2)cc1C
InChIInChI=1S/C13H20N2O/c1-10-5-11(3-4-13(10)16-2)6-14-7-12-8-15-9-12/h3-5,12,14-15H,6-9H2,1-2H3
InChIKeyXLGQUJOBOREXDO-UHFFFAOYSA-N
XLogP1.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 115207473
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine (CID 115207484) is 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine is COc1ccc(CNCC2CNC2)cc1C.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
The InChIKey is XLGQUJOBOREXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-11(3-4-13(10)16-2)6-14-7-12-8-15-9-12/h3-5,12,14-15H,6-9H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine?
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 115207484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).