2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine

C15H25NO — CID 116931100

IUPAC2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(CC(CN)C(C)C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-10(2)14(9-16)8-13-6-7-15(17-5)12(4)11(13)3/h6-7,10,14H,8-9,16H2,1-5H3
InChIKeyLZYBRTJHYNYSKH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.09
Rot. Bonds5

About 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine

2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 116931100) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID116931100
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(CC(CN)C(C)C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-10(2)14(9-16)8-13-6-7-15(17-5)12(4)11(13)3/h6-7,10,14H,8-9,16H2,1-5H3
InChIKeyLZYBRTJHYNYSKH-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-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-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutanenitrile
CID 116931708
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
2-[1-(4-ethoxy-2,3-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939804
1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
CID 83939747
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945772
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine (CID 116931100) is 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine is COc1ccc(CC(CN)C(C)C)c(C)c1C.
What is the InChIKey of 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is LZYBRTJHYNYSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)14(9-16)8-13-6-7-15(17-5)12(4)11(13)3/h6-7,10,14H,8-9,16H2,1-5H3.
What are the key properties of 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine?
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 116931100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).