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

C12H20ClNO2 — CID 171203083

IUPAC4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-4-5-10(13)9-6-7-11(14)12(8-9)15-2;/h6-8,10,14H,3-5,13H2,1-2H3;1H/t10-;/m1./s1
InChIKeyDOYJEFNFUAFZEY-HNCPQSOCSA-N
MW245.75 g/mol
LogP3.01
Rot. Bonds5

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

4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride (PubChem CID 171203083) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
PubChem CID171203083
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-4-5-10(13)9-6-7-11(14)12(8-9)15-2;/h6-8,10,14H,3-5,13H2,1-2H3;1H/t10-;/m1./s1
InChIKeyDOYJEFNFUAFZEY-HNCPQSOCSA-N
XLogP3.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
CID 165346911
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride (CID 171203083) is 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride is CCCC[C@@H](N)c1ccc(O)c(OC)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride?
The InChIKey is DOYJEFNFUAFZEY-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-4-5-10(13)9-6-7-11(14)12(8-9)15-2;/h6-8,10,14H,3-5,13H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride?
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 3.01, 5 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-methoxyphenol;hydrochloride is sourced from PubChem (CID 171203083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).