2-amino-1-(2-hexoxyphenyl)ethanol

C14H23NO2 — CID 102543640

IUPAC2-amino-1-(2-hexoxyphenyl)ethanol
SMILESCCCCCCOc1ccccc1C(O)CN
InChIInChI=1S/C14H23NO2/c1-2-3-4-7-10-17-14-9-6-5-8-12(14)13(16)11-15/h5-6,8-9,13,16H,2-4,7,10-11,15H2,1H3
InChIKeyQPVBIJJQVIXYQS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds8

About 2-amino-1-(2-hexoxyphenyl)ethanol

2-amino-1-(2-hexoxyphenyl)ethanol (PubChem CID 102543640) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-amino-1-(2-hexoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-hexoxyphenyl)ethanol
PubChem CID102543640
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-amino-1-(2-hexoxyphenyl)ethanol
SMILESCCCCCCOc1ccccc1C(O)CN
InChIInChI=1S/C14H23NO2/c1-2-3-4-7-10-17-14-9-6-5-8-12(14)13(16)11-15/h5-6,8-9,13,16H,2-4,7,10-11,15H2,1H3
InChIKeyQPVBIJJQVIXYQS-UHFFFAOYSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-1-(2-hexoxyphenyl)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

(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hexoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(2-hexoxyphenyl)ethanol (CID 102543640) is 2-amino-1-(2-hexoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-hexoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-hexoxyphenyl)ethanol is CCCCCCOc1ccccc1C(O)CN.
What is the InChIKey of 2-amino-1-(2-hexoxyphenyl)ethanol?
The InChIKey is QPVBIJJQVIXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-7-10-17-14-9-6-5-8-12(14)13(16)11-15/h5-6,8-9,13,16H,2-4,7,10-11,15H2,1H3.
What are the key properties of 2-amino-1-(2-hexoxyphenyl)ethanol?
2-amino-1-(2-hexoxyphenyl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hexoxyphenyl)ethanol is sourced from PubChem (CID 102543640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).