1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol

C15H25NO — CID 79389462

IUPAC1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(C)c(C)c1)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-6-16(11-15(4,5)17)10-14-8-7-12(2)13(3)9-14/h7-9,17H,6,10-11H2,1-5H3
InChIKeyYPZFPMGUIYPEDF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds5

About 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79389462) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79389462
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(C)c(C)c1)CC(C)(C)O
InChIInChI=1S/C15H25NO/c1-6-16(11-15(4,5)17)10-14-8-7-12(2)13(3)9-14/h7-9,17H,6,10-11H2,1-5H3
InChIKeyYPZFPMGUIYPEDF-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

1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
CID 78966629
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol
CID 79376914
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55008961
1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
CID 79379712
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79389462) is 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1ccc(C)c(C)c1)CC(C)(C)O.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is YPZFPMGUIYPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16(11-15(4,5)17)10-14-8-7-12(2)13(3)9-14/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-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 1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).