2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride

C12H20ClNO2 — CID 171216291

IUPAC2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
SMILESCCCC[C@@H](N)c1c(O)cccc1OC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-4-6-9(13)12-10(14)7-5-8-11(12)15-2;/h5,7-9,14H,3-4,6,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyOVKJXSSQLIZXDN-SBSPUUFOSA-N
MW245.75 g/mol
LogP3.01
Rot. Bonds5

About 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride

2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride (PubChem CID 171216291) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
PubChem CID171216291
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
SMILESCCCC[C@@H](N)c1c(O)cccc1OC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-4-6-9(13)12-10(14)7-5-8-11(12)15-2;/h5,7-9,14H,3-4,6,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyOVKJXSSQLIZXDN-SBSPUUFOSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
CID 171216328
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride (CID 171216291) is 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride is CCCC[C@@H](N)c1c(O)cccc1OC.Cl.
What is the InChIKey of 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride?
The InChIKey is OVKJXSSQLIZXDN-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-4-6-9(13)12-10(14)7-5-8-11(12)15-2;/h5,7-9,14H,3-4,6,13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride?
2-[(1R)-1-aminopentyl]-3-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 2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171216291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).