2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol

C17H29NO — CID 66178191

IUPAC2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
SMILESCc1cc(C)c(CNCC(C)(O)CC(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-12(2)9-17(6,19)11-18-10-16-8-14(4)13(3)7-15(16)5/h7-8,12,18-19H,9-11H2,1-6H3
InChIKeyWZVIFZQBCHCJDV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.50
Rot. Bonds6

About 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol

2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol (PubChem CID 66178191) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
PubChem CID66178191
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
SMILESCc1cc(C)c(CNCC(C)(O)CC(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-12(2)9-17(6,19)11-18-10-16-8-14(4)13(3)7-15(16)5/h7-8,12,18-19H,9-11H2,1-6H3
InChIKeyWZVIFZQBCHCJDV-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(2,4,5-trimethylphenyl)methylamino]butan-2-ol
CID 63932252
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486
1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66179073
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
4-fluoro-3-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]benzoic acid
CID 107453057
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
CID 103845601
3,3-dimethyl-4-[(2,4,5-trimethylphenyl)methylamino]butanoic acid
CID 115220342
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180
1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 106932260
2,4-dimethyl-1-[(4-methyl-3-nitrophenyl)methylamino]pentan-2-ol
CID 66179326

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol (CID 66178191) is 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol is Cc1cc(C)c(CNCC(C)(O)CC(C)C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol?
The InChIKey is WZVIFZQBCHCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)9-17(6,19)11-18-10-16-8-14(4)13(3)7-15(16)5/h7-8,12,18-19H,9-11H2,1-6H3.
What are the key properties of 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol?
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 66178191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).