2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol

C15H25NO2 — CID 83941920

IUPAC2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
SMILESCOc1c(C)cc(C)cc1CC(C)C(CN)CO
InChIInChI=1S/C15H25NO2/c1-10-5-12(3)15(18-4)13(6-10)7-11(2)14(8-16)9-17/h5-6,11,14,17H,7-9,16H2,1-4H3
InChIKeyRERCGOUCSHZXSH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds6

About 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 83941920) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID83941920
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
SMILESCOc1c(C)cc(C)cc1CC(C)C(CN)CO
InChIInChI=1S/C15H25NO2/c1-10-5-12(3)15(18-4)13(6-10)7-11(2)14(8-16)9-17/h5-6,11,14,17H,7-9,16H2,1-4H3
InChIKeyRERCGOUCSHZXSH-UHFFFAOYSA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 83928000
2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137616
3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropane-1-thiol
CID 83941900
2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene
CID 83941963
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 82351880
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
2-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine
CID 82262565

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol (CID 83941920) is 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol is COc1c(C)cc(C)cc1CC(C)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is RERCGOUCSHZXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-5-12(3)15(18-4)13(6-10)7-11(2)14(8-16)9-17/h5-6,11,14,17H,7-9,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83941920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).