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

C11H17NO — CID 3029797

IUPAC1-(2-methoxy-3-methylphenyl)propan-2-amine
SMILESCOc1c(C)cccc1CC(C)N
InChIInChI=1S/C11H17NO/c1-8-5-4-6-10(7-9(2)12)11(8)13-3/h4-6,9H,7,12H2,1-3H3
InChIKeyWWGNFBZBLDQURC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.89
Rot. Bonds3

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

1-(2-methoxy-3-methylphenyl)propan-2-amine (PubChem CID 3029797) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-methoxy-3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-3-methylphenyl)propan-2-amine
PubChem CID3029797
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2-methoxy-3-methylphenyl)propan-2-amine
SMILESCOc1c(C)cccc1CC(C)N
InChIInChI=1S/C11H17NO/c1-8-5-4-6-10(7-9(2)12)11(8)13-3/h4-6,9H,7,12H2,1-3H3
InChIKeyWWGNFBZBLDQURC-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-3-methylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885578
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-3-methylphenyl)propan-2-amine (CID 3029797) is 1-(2-methoxy-3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-3-methylphenyl)propan-2-amine is COc1c(C)cccc1CC(C)N.
What is the InChIKey of 1-(2-methoxy-3-methylphenyl)propan-2-amine?
The InChIKey is WWGNFBZBLDQURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-4-6-10(7-9(2)12)11(8)13-3/h4-6,9H,7,12H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-methylphenyl)propan-2-amine?
1-(2-methoxy-3-methylphenyl)propan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-methylphenyl)propan-2-amine is sourced from PubChem (CID 3029797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).