2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride

C11H17ClFNO — CID 171218438

IUPAC2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride
SMILESCCCC[C@H](N)c1cccc(F)c1O.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-2-3-7-10(13)8-5-4-6-9(12)11(8)14;/h4-6,10,14H,2-3,7,13H2,1H3;1H/t10-;/m0./s1
InChIKeyKHQMRLJDRMSFMV-PPHPATTJSA-N
MW233.71 g/mol
LogP3.14
Rot. Bonds4

About 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride

2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride (PubChem CID 171218438) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride
PubChem CID171218438
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride
SMILESCCCC[C@H](N)c1cccc(F)c1O.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-2-3-7-10(13)8-5-4-6-9(12)11(8)14;/h4-6,10,14H,2-3,7,13H2,1H3;1H/t10-;/m0./s1
InChIKeyKHQMRLJDRMSFMV-PPHPATTJSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminopentyl]-6-fluorophenol
CID 171218437
3-[(1S)-1-aminopentyl]benzene-1,2-diol;hydrochloride
CID 171220529
3-[(1R)-1-aminopentyl]benzene-1,2-diol;hydrochloride
CID 171200994
2-[(1S)-1,3-diaminopropyl]-6-fluorophenol;hydrochloride
CID 171218427
2-[(1R,2S)-1-amino-2-hydroxyhexyl]-6-fluorophenol
CID 171260987
3-[(1R)-1-aminohexyl]benzene-1,2-diol
CID 171200995
2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
CID 171260986
2-[(1R)-1-aminohexyl]-6-bromophenol;hydrochloride
CID 171202780
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171227374

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride (CID 171218438) is 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride is CCCC[C@H](N)c1cccc(F)c1O.Cl.
What is the InChIKey of 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride?
The InChIKey is KHQMRLJDRMSFMV-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-2-3-7-10(13)8-5-4-6-9(12)11(8)14;/h4-6,10,14H,2-3,7,13H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride?
2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopentyl]-6-fluorophenol;hydrochloride is sourced from PubChem (CID 171218438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).