3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol

C15H25NO — CID 115135358

IUPAC3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1ccc(CN(C)CC(C)(C)CO)cc1C
InChIInChI=1S/C15H25NO/c1-12-6-7-14(8-13(12)2)9-16(5)10-15(3,4)11-17/h6-8,17H,9-11H2,1-5H3
InChIKeyUVDUIJIAABQVOD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds5

About 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol

3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115135358) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115135358
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1ccc(CN(C)CC(C)(C)CO)cc1C
InChIInChI=1S/C15H25NO/c1-12-6-7-14(8-13(12)2)9-16(5)10-15(3,4)11-17/h6-8,17H,9-11H2,1-5H3
InChIKeyUVDUIJIAABQVOD-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
3-[(3,4-dimethylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 54977733
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol (CID 115135358) is 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol is Cc1ccc(CN(C)CC(C)(C)CO)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is UVDUIJIAABQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-6-7-14(8-13(12)2)9-16(5)10-15(3,4)11-17/h6-8,17H,9-11H2,1-5H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.75, 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]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).