2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol

C15H25NO — CID 96661132

IUPAC2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol
SMILESCc1cc(C)c(CCNCC(C)(C)O)c(C)c1
InChIInChI=1S/C15H25NO/c1-11-8-12(2)14(13(3)9-11)6-7-16-10-15(4,5)17/h8-9,16-17H,6-7,10H2,1-5H3
InChIKeyVXELOURNEOMHPQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.51
Rot. Bonds5

About 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol

2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol (PubChem CID 96661132) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol
PubChem CID96661132
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol
SMILESCc1cc(C)c(CCNCC(C)(C)O)c(C)c1
InChIInChI=1S/C15H25NO/c1-11-8-12(2)14(13(3)9-11)6-7-16-10-15(4,5)17/h8-9,16-17H,6-7,10H2,1-5H3
InChIKeyVXELOURNEOMHPQ-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3,4-Dimethylphenyl)methyl](2-methoxyethyl)amine
CID 43220287
[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-ethyl]-methyl-amine
CID 44311953
2-[[(2R)-2-phenylpropyl]amino]ethanol
CID 6993687
((2,4-Dimethylphenyl)methyl)(2-methoxyethyl)amine
CID 28425716
2-[(2,4-Dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 28724856
(2S)-1-methoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-2-amine
CID 93026373
1-Fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol
CID 123338706
1-[3-(2-Fluorophenyl)propylamino]-2-methylpropan-2-ol
CID 135124274
4-(2,4,5-Trimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 64985167
Cyclopropylmethyl-[2-(2,5-dimethyl-phenyl)-ethyl]-amine
CID 62538182
2-Methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol
CID 86150339
Butyl[(2,4,5-trimethylphenyl)methyl]amine
CID 43220378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol (CID 96661132) is 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol is Cc1cc(C)c(CCNCC(C)(C)O)c(C)c1.
What is the InChIKey of 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol?
The InChIKey is VXELOURNEOMHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-8-12(2)14(13(3)9-11)6-7-16-10-15(4,5)17/h8-9,16-17H,6-7,10H2,1-5H3.
What are the key properties of 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol?
2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 96661132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).