3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol

C15H25NO — CID 115134108

IUPAC3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCc1ccc(CN(C)C(C)(C)CCO)cc1C
InChIInChI=1S/C15H25NO/c1-12-6-7-14(10-13(12)2)11-16(5)15(3,4)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyQJYGIDPRNVASQI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds5

About 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol

3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115134108) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115134108
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCc1ccc(CN(C)C(C)(C)CCO)cc1C
InChIInChI=1S/C15H25NO/c1-12-6-7-14(10-13(12)2)11-16(5)15(3,4)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyQJYGIDPRNVASQI-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol
CID 115133914
3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134180
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
5-[[(4-hydroxy-2-methylbutan-2-yl)-methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115134173
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117
2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62010595
tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate
CID 142774143
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
2-[(3,4-dimethylphenyl)methyl-pentan-3-ylamino]ethanol
CID 62015496

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115134108) is 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol is Cc1ccc(CN(C)C(C)(C)CCO)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is QJYGIDPRNVASQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-6-7-14(10-13(12)2)11-16(5)15(3,4)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).