2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol

C15H25NO — CID 83928281

IUPAC2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
SMILESCc1cc(C)c(C(C)CC(O)C(C)N)c(C)c1
InChIInChI=1S/C15H25NO/c1-9-6-10(2)15(11(3)7-9)12(4)8-14(17)13(5)16/h6-7,12-14,17H,8,16H2,1-5H3
InChIKeyONDSQDRGJOKFDE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol

2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol (PubChem CID 83928281) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
PubChem CID83928281
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
SMILESCc1cc(C)c(C(C)CC(O)C(C)N)c(C)c1
InChIInChI=1S/C15H25NO/c1-9-6-10(2)15(11(3)7-9)12(4)8-14(17)13(5)16/h6-7,12-14,17H,8,16H2,1-5H3
InChIKeyONDSQDRGJOKFDE-UHFFFAOYSA-N
XLogP2.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-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-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
CID 83931550
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
CID 83936683
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103967406
5-(3,5-dimethylphenyl)hexane-2,3-diol
CID 83922432
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928218

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol (CID 83928281) is 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol is Cc1cc(C)c(C(C)CC(O)C(C)N)c(C)c1.
What is the InChIKey of 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol?
The InChIKey is ONDSQDRGJOKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9-6-10(2)15(11(3)7-9)12(4)8-14(17)13(5)16/h6-7,12-14,17H,8,16H2,1-5H3.
What are the key properties of 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol?
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol has a molecular weight of 235.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol is sourced from PubChem (CID 83928281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).