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

C14H23NO2 — CID 124500421

IUPAC(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
SMILESCCCCCCOc1ccccc1[C@@H](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/t13-/m0/s1
InChIKeyQPVBIJJQVIXYQS-ZDUSSCGKSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds8

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

(1R)-2-amino-1-(2-hexoxyphenyl)ethanol (PubChem CID 124500421) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-2-amino-1-(2-hexoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
PubChem CID124500421
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
SMILESCCCCCCOc1ccccc1[C@@H](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/t13-/m0/s1
InChIKeyQPVBIJJQVIXYQS-ZDUSSCGKSA-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'}

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Related Compounds

2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(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 (1R)-2-amino-1-(2-hexoxyphenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2-hexoxyphenyl)ethanol (CID 124500421) is (1R)-2-amino-1-(2-hexoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2-hexoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2-hexoxyphenyl)ethanol is CCCCCCOc1ccccc1[C@@H](O)CN.
What is the InChIKey of (1R)-2-amino-1-(2-hexoxyphenyl)ethanol?
The InChIKey is QPVBIJJQVIXYQS-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (1R)-2-amino-1-(2-hexoxyphenyl)ethanol?
(1R)-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 (1R)-2-amino-1-(2-hexoxyphenyl)ethanol is sourced from PubChem (CID 124500421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).