4-[(1R)-1-aminohexyl]-2-ethoxyphenol

C14H23NO2 — CID 171200830

IUPAC4-[(1R)-1-aminohexyl]-2-ethoxyphenol
SMILESCCCCC[C@@H](N)c1ccc(O)c(OCC)c1
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-12(15)11-8-9-13(16)14(10-11)17-4-2/h8-10,12,16H,3-7,15H2,1-2H3/t12-/m1/s1
InChIKeyOCYIJNHYHBPDMJ-GFCCVEGCSA-N
MW237.34 g/mol
LogP3.37
Rot. Bonds7

About 4-[(1R)-1-aminohexyl]-2-ethoxyphenol

4-[(1R)-1-aminohexyl]-2-ethoxyphenol (PubChem CID 171200830) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[(1R)-1-aminohexyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminohexyl]-2-ethoxyphenol
PubChem CID171200830
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[(1R)-1-aminohexyl]-2-ethoxyphenol
SMILESCCCCC[C@@H](N)c1ccc(O)c(OCC)c1
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-12(15)11-8-9-13(16)14(10-11)17-4-2/h8-10,12,16H,3-7,15H2,1-2H3/t12-/m1/s1
InChIKeyOCYIJNHYHBPDMJ-GFCCVEGCSA-N
XLogP3.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.37
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

4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
CID 171200839
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
4-(1-aminododecyl)phenol
CID 174770403

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminohexyl]-2-ethoxyphenol?
The IUPAC name of 4-[(1R)-1-aminohexyl]-2-ethoxyphenol (CID 171200830) is 4-[(1R)-1-aminohexyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(1R)-1-aminohexyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(1R)-1-aminohexyl]-2-ethoxyphenol is CCCCC[C@@H](N)c1ccc(O)c(OCC)c1.
What is the InChIKey of 4-[(1R)-1-aminohexyl]-2-ethoxyphenol?
The InChIKey is OCYIJNHYHBPDMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-6-7-12(15)11-8-9-13(16)14(10-11)17-4-2/h8-10,12,16H,3-7,15H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminohexyl]-2-ethoxyphenol?
4-[(1R)-1-aminohexyl]-2-ethoxyphenol has a molecular weight of 237.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminohexyl]-2-ethoxyphenol is sourced from PubChem (CID 171200830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).