3-methoxy-1-(3-methylphenyl)butan-2-amine

C12H19NO — CID 79616788

IUPAC3-methoxy-1-(3-methylphenyl)butan-2-amine
SMILESCOC(C)C(N)Cc1cccc(C)c1
InChIInChI=1S/C12H19NO/c1-9-5-4-6-11(7-9)8-12(13)10(2)14-3/h4-7,10,12H,8,13H2,1-3H3
InChIKeyIUBWMXKCKORRKT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.90
Rot. Bonds4

About 3-methoxy-1-(3-methylphenyl)butan-2-amine

3-methoxy-1-(3-methylphenyl)butan-2-amine (PubChem CID 79616788) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methylphenyl)butan-2-amine
PubChem CID79616788
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methoxy-1-(3-methylphenyl)butan-2-amine
SMILESCOC(C)C(N)Cc1cccc(C)c1
InChIInChI=1S/C12H19NO/c1-9-5-4-6-11(7-9)8-12(13)10(2)14-3/h4-7,10,12H,8,13H2,1-3H3
InChIKeyIUBWMXKCKORRKT-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 3-methoxy-1-(3-methylphenyl)butan-2-amine (CID 79616788) is 3-methoxy-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 3-methoxy-1-(3-methylphenyl)butan-2-amine is COC(C)C(N)Cc1cccc(C)c1.
What is the InChIKey of 3-methoxy-1-(3-methylphenyl)butan-2-amine?
The InChIKey is IUBWMXKCKORRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-4-6-11(7-9)8-12(13)10(2)14-3/h4-7,10,12H,8,13H2,1-3H3.
What are the key properties of 3-methoxy-1-(3-methylphenyl)butan-2-amine?
3-methoxy-1-(3-methylphenyl)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 79616788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).