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

C10H11BrFNO — CID 130715689

IUPAC2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
SMILESN[C@@H](c1cc(Br)cc(F)c1O)C1CC1
InChIInChI=1S/C10H11BrFNO/c11-6-3-7(9(13)5-1-2-5)10(14)8(12)4-6/h3-5,9,14H,1-2,13H2/t9-/m1/s1
InChIKeyLARDRDCTBCNLLI-SECBINFHSA-N
MW260.11 g/mol
LogP2.70
Rot. Bonds2

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

2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol (PubChem CID 130715689) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
PubChem CID130715689
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
SMILESN[C@@H](c1cc(Br)cc(F)c1O)C1CC1
InChIInChI=1S/C10H11BrFNO/c11-6-3-7(9(13)5-1-2-5)10(14)8(12)4-6/h3-5,9,14H,1-2,13H2/t9-/m1/s1
InChIKeyLARDRDCTBCNLLI-SECBINFHSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.70
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-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962
2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
CID 171217183
2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
CID 131559036
2-[(R)-amino(cyclopropyl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257092
2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
CID 131534565
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
2-[(S)-amino(cyclopentyl)methyl]-4-bromo-6-chlorophenol
CID 131586539
3-[(S)-amino(cyclopentyl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171254416

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol (CID 130715689) is 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol is N[C@@H](c1cc(Br)cc(F)c1O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol?
The InChIKey is LARDRDCTBCNLLI-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-6-3-7(9(13)5-1-2-5)10(14)8(12)4-6/h3-5,9,14H,1-2,13H2/t9-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol?
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol has a molecular weight of 260.11 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol is sourced from PubChem (CID 130715689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).