3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol

C15H25NO2 — CID 115134117

IUPAC3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(C)cc1CN(C)C(C)(C)CCO
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(18-5)13(10-12)11-16(4)15(2,3)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyGCHFDGMJMGBCAQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.60
Rot. Bonds6

About 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol

3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115134117) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115134117
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(C)cc1CN(C)C(C)(C)CCO
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(18-5)13(10-12)11-16(4)15(2,3)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyGCHFDGMJMGBCAQ-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121
1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 115200689
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
3-(dimethylamino)-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-one
CID 79052304
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115134117) is 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol is COc1ccc(C)cc1CN(C)C(C)(C)CCO.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is GCHFDGMJMGBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-7-14(18-5)13(10-12)11-16(4)15(2,3)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).