2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol

C14H23NO2 — CID 79137885

IUPAC2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO2/c1-5-14(3,9-15)13(16)11-6-7-12(17-4)10(2)8-11/h6-8,13,16H,5,9,15H2,1-4H3
InChIKeyXYLDQLBCHOKJJH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.41
Rot. Bonds5

About 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol (PubChem CID 79137885) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
PubChem CID79137885
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO2/c1-5-14(3,9-15)13(16)11-6-7-12(17-4)10(2)8-11/h6-8,13,16H,5,9,15H2,1-4H3
InChIKeyXYLDQLBCHOKJJH-UHFFFAOYSA-N
XLogP2.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol 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-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
CID 79125953
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
2-(aminomethyl)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylbutan-1-ol
CID 79135066
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265096
tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 66338003
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol (CID 79137885) is 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol?
The InChIKey is XYLDQLBCHOKJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(3,9-15)13(16)11-6-7-12(17-4)10(2)8-11/h6-8,13,16H,5,9,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79137885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).