1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine

C12H19NO — CID 651922

IUPAC1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
SMILESCOCC(C)NCc1ccccc1C
InChIInChI=1S/C12H19NO/c1-10-6-4-5-7-12(10)8-13-11(2)9-14-3/h4-7,11,13H,8-9H2,1-3H3
InChIKeyIBQJRTAAPFIEHG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.12
Rot. Bonds5

About 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine

1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine (PubChem CID 651922) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
PubChem CID651922
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
SMILESCOCC(C)NCc1ccccc1C
InChIInChI=1S/C12H19NO/c1-10-6-4-5-7-12(10)8-13-11(2)9-14-3/h4-7,11,13H,8-9H2,1-3H3
InChIKeyIBQJRTAAPFIEHG-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine (CID 651922) is 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine is COCC(C)NCc1ccccc1C.
What is the InChIKey of 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine?
The InChIKey is IBQJRTAAPFIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-6-4-5-7-12(10)8-13-11(2)9-14-3/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine?
1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).