2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol

C14H23NO — CID 62774498

IUPAC2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCCCNCC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-6-15-9-13(16)14-11(3)7-10(2)8-12(14)4/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyLYLPKMHBZPFNHH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds5

About 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol

2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 62774498) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID62774498
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCCCNCC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-6-15-9-13(16)14-11(3)7-10(2)8-12(14)4/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyLYLPKMHBZPFNHH-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol 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-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 112510446
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
3-(2-fluoro-4,6-dimethylphenyl)-2-methyl-N-propylbutan-1-amine
CID 106882869
2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82314891
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63523301
1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
CID 82315854
3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
CID 82315821

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol (CID 62774498) is 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol is CCCNCC(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is LYLPKMHBZPFNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-15-9-13(16)14-11(3)7-10(2)8-12(14)4/h7-8,13,15-16H,5-6,9H2,1-4H3.
What are the key properties of 2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol?
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.64, 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)ethanol is sourced from PubChem (CID 62774498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).