2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol

C15H25NO — CID 82314916

IUPAC2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCCCNC(C)C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-7-16-13(5)15(17)14-11(3)8-10(2)9-12(14)4/h8-9,13,15-17H,6-7H2,1-5H3
InChIKeyJESGHAXBBDTGDW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.03
Rot. Bonds5

About 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol

2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 82314916) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID82314916
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCCCNC(C)C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-7-16-13(5)15(17)14-11(3)8-10(2)9-12(14)4/h8-9,13,15-17H,6-7H2,1-5H3
InChIKeyJESGHAXBBDTGDW-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-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-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
2-(butylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 82314956
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 82985195
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314932
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
CID 82077222
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 82314916) is 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol is CCCNC(C)C(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is JESGHAXBBDTGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-7-16-13(5)15(17)14-11(3)8-10(2)9-12(14)4/h8-9,13,15-17H,6-7H2,1-5H3.
What are the key properties of 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol?
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 82314916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).