6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride

C11H14BrClFNO — CID 171256976

IUPAC6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(F)c(Br)c1O)C1CCC1
InChIInChI=1S/C11H13BrFNO.ClH/c12-9-8(13)5-4-7(11(9)15)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,14H2;1H/t10-;/m1./s1
InChIKeyQPHNVKMYFZHYNC-HNCPQSOCSA-N
MW310.59 g/mol
LogP3.52
Rot. Bonds2

About 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride

6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride (PubChem CID 171256976) has the molecular formula C11H14BrClFNO and a molecular weight of 310.59 g/mol. Its IUPAC name is 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
PubChem CID171256976
Molecular FormulaC11H14BrClFNO
Molecular Weight310.59 g/mol
Exact Mass308.99
IUPAC Name6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(F)c(Br)c1O)C1CCC1
InChIInChI=1S/C11H13BrFNO.ClH/c12-9-8(13)5-4-7(11(9)15)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,14H2;1H/t10-;/m1./s1
InChIKeyQPHNVKMYFZHYNC-HNCPQSOCSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.59
LogP ≤ 53.52
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-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507
(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
CID 103852506
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
CID 130849466
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride
CID 171257346
6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride?
The IUPAC name of 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride (CID 171256976) is 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride.
What is the SMILES notation for 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride?
The canonical SMILES for 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride is Cl.N[C@@H](c1ccc(F)c(Br)c1O)C1CCC1.
What is the InChIKey of 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride?
The InChIKey is QPHNVKMYFZHYNC-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13BrFNO.ClH/c12-9-8(13)5-4-7(11(9)15)10(14)6-2-1-3-6;/h4-6,10,15H,1-3,14H2;1H/t10-;/m1./s1.
What are the key properties of 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride?
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride has a molecular weight of 310.59 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171256976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).