2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride

C11H16ClFN2O — CID 171257260

IUPAC2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
SMILESCl.Nc1cc(F)cc([C@H](N)C2CCC2)c1O
InChIInChI=1S/C11H15FN2O.ClH/c12-7-4-8(11(15)9(13)5-7)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,13-14H2;1H/t10-;/m1./s1
InChIKeyGYZOQYPEVDRGEA-HNCPQSOCSA-N
MW246.71 g/mol
LogP2.34
Rot. Bonds2

About 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride

2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride (PubChem CID 171257260) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
PubChem CID171257260
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
SMILESCl.Nc1cc(F)cc([C@H](N)C2CCC2)c1O
InChIInChI=1S/C11H15FN2O.ClH/c12-7-4-8(11(15)9(13)5-7)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,13-14H2;1H/t10-;/m1./s1
InChIKeyGYZOQYPEVDRGEA-HNCPQSOCSA-N
XLogP2.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
2-amino-6-[(R)-amino(oxan-4-yl)methyl]-4-fluorophenol
CID 171257268
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
2-[(R)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205419
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
2-amino-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-fluorophenol;dihydrochloride
CID 171300851
2-[(S)-amino(cyclopropyl)methyl]-4-fluoro-6-methylphenol
CID 130752620
2-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-nitrophenol
CID 171255475
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
3-[(R)-amino(cyclobutyl)methyl]-5-fluoro-4-hydroxybenzoic acid;hydrochloride
CID 171259466

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride (CID 171257260) is 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride is Cl.Nc1cc(F)cc([C@H](N)C2CCC2)c1O.
What is the InChIKey of 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride?
The InChIKey is GYZOQYPEVDRGEA-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c12-7-4-8(11(15)9(13)5-7)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,13-14H2;1H/t10-;/m1./s1.
What are the key properties of 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride?
2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171257260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).