2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol

C12H15BrFNO — CID 131256962

IUPAC2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
SMILESN[C@@H](c1cc(Br)cc(F)c1O)C1CCCC1
InChIInChI=1S/C12H15BrFNO/c13-8-5-9(12(16)10(14)6-8)11(15)7-3-1-2-4-7/h5-7,11,16H,1-4,15H2/t11-/m1/s1
InChIKeyATNBJSAEDBFJOV-LLVKDONJSA-N
MW288.16 g/mol
LogP3.48
Rot. Bonds2

About 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol

2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol (PubChem CID 131256962) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
PubChem CID131256962
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
SMILESN[C@@H](c1cc(Br)cc(F)c1O)C1CCCC1
InChIInChI=1S/C12H15BrFNO/c13-8-5-9(12(16)10(14)6-8)11(15)7-3-1-2-4-7/h5-7,11,16H,1-4,15H2/t11-/m1/s1
InChIKeyATNBJSAEDBFJOV-LLVKDONJSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.48
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-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-[(S)-amino(cyclopentyl)methyl]-4-bromo-6-chlorophenol
CID 131586539
2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
CID 131534565
3-[(S)-amino(cyclopentyl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171254416
2-[(S)-amino(cyclohexyl)methyl]-4-chloro-6-fluorophenol
CID 171255942
3-[(R)-amino(cyclohexyl)methyl]-5-fluoro-4-hydroxybenzonitrile;hydrochloride
CID 171257762
2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
CID 131559036
2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
CID 171212893
3-[(S)-amino(cyclopentyl)methyl]-5-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171255080
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol?
The IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol (CID 131256962) is 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol?
The canonical SMILES for 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol is N[C@@H](c1cc(Br)cc(F)c1O)C1CCCC1.
What is the InChIKey of 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol?
The InChIKey is ATNBJSAEDBFJOV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-8-5-9(12(16)10(14)6-8)11(15)7-3-1-2-4-7/h5-7,11,16H,1-4,15H2/t11-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol?
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol has a molecular weight of 288.16 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol is sourced from PubChem (CID 131256962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).