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

C12H19NO — CID 83818376

IUPAC3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)CN)cc1C
InChIInChI=1S/C12H19NO/c1-9(8-13)6-11-4-5-12(14-3)10(2)7-11/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyMJJFBSNVANVHBE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.14
Rot. Bonds4

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

3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine (PubChem CID 83818376) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
PubChem CID83818376
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)CN)cc1C
InChIInChI=1S/C12H19NO/c1-9(8-13)6-11-4-5-12(14-3)10(2)7-11/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyMJJFBSNVANVHBE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
3-(4-methoxy-2,8-dimethylquinolin-6-yl)-2-methylpropan-1-amine
CID 82576928
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885
2-chloro-3-(4-methoxy-3-methylphenyl)propanal
CID 62394660
N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202913
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine (CID 83818376) is 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine is COc1ccc(CC(C)CN)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is MJJFBSNVANVHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(8-13)6-11-4-5-12(14-3)10(2)7-11/h4-5,7,9H,6,8,13H2,1-3H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine?
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).