1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine

C12H19NO — CID 83698352

IUPAC1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)ccc1C
InChIInChI=1S/C12H19NO/c1-9-5-6-10(7-11(9)14-4)8-12(2,3)13/h5-7H,8,13H2,1-4H3
InChIKeyXXZSMEZHYNNXRO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine

1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine (PubChem CID 83698352) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
PubChem CID83698352
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)ccc1C
InChIInChI=1S/C12H19NO/c1-9-5-6-10(7-11(9)14-4)8-12(2,3)13/h5-7H,8,13H2,1-4H3
InChIKeyXXZSMEZHYNNXRO-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine (CID 83698352) is 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is XXZSMEZHYNNXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-6-10(7-11(9)14-4)8-12(2,3)13/h5-7H,8,13H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine?
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 83698352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).