5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol

C15H25NO2 — CID 106157424

IUPAC5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
SMILESCOCC(NCCCC(C)CO)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(11-17)7-6-10-16-15(12-18-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3
InChIKeyIICPQBCNUBTVHT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds9

About 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol

5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol (PubChem CID 106157424) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
PubChem CID106157424
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
SMILESCOCC(NCCCC(C)CO)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(11-17)7-6-10-16-15(12-18-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3
InChIKeyIICPQBCNUBTVHT-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-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

5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 113350165
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol (CID 106157424) is 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol is COCC(NCCCC(C)CO)c1ccccc1.
What is the InChIKey of 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol?
The InChIKey is IICPQBCNUBTVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(11-17)7-6-10-16-15(12-18-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3.
What are the key properties of 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol?
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106157424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).