4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride

C13H22ClNO2 — CID 171200829

IUPAC4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(O)c(OCC)c1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-3-5-6-11(14)10-7-8-12(15)13(9-10)16-4-2;/h7-9,11,15H,3-6,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyHPTWSXATBJAYMG-RFVHGSKJSA-N
MW259.78 g/mol
LogP3.40
Rot. Bonds6

About 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride

4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride (PubChem CID 171200829) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
PubChem CID171200829
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(O)c(OCC)c1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-3-5-6-11(14)10-7-8-12(15)13(9-10)16-4-2;/h7-9,11,15H,3-6,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyHPTWSXATBJAYMG-RFVHGSKJSA-N
XLogP3.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
CID 171200839
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride (CID 171200829) is 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride is CCCC[C@@H](N)c1ccc(O)c(OCC)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is HPTWSXATBJAYMG-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-3-5-6-11(14)10-7-8-12(15)13(9-10)16-4-2;/h7-9,11,15H,3-6,14H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride?
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171200829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).