[2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol

C14H13BrFNO — CID 43743125

IUPAC[2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO/c15-12-5-6-13(16)11(7-12)8-17-14-4-2-1-3-10(14)9-18/h1-7,17-18H,8-9H2
InChIKeyYNIRCJAPAMLIFE-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.69
Rot. Bonds4

About [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol

[2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol (PubChem CID 43743125) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
PubChem CID43743125
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO/c15-12-5-6-13(16)11(7-12)8-17-14-4-2-1-3-10(14)9-18/h1-7,17-18H,8-9H2
InChIKeyYNIRCJAPAMLIFE-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Phenylamino)phenyl]methanol
CID 12682595
[5-Bromo-2-(methylamino)phenyl]-phenylmethanol
CID 5187018
4-Bromo-2-{[(4-fluorophenyl)amino]methyl}phenol
CID 2807164
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
CID 10977238
[2-(Benzylamino)phenyl]methanol
CID 296053
[2-[(4-Fluoroanilino)methyl]phenyl]methanol
CID 686996
4-Bromo-2-{[(2-fluorophenyl)amino]methyl}phenol
CID 51047292
(1R)-2-(2-fluoroanilino)-1-phenylethanol
CID 39247919
[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]methanol
CID 112355952
Anilino(phenyl)methanol
CID 20242517
4-Bromo-2-{[(3-fluorophenyl)amino]methyl}phenol
CID 2846434
4-Bromo-2-[(3,4-difluoroanilino)methyl]benzenol
CID 5015956

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol (CID 43743125) is [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol is OCc1ccccc1NCc1cc(Br)ccc1F.
What is the InChIKey of [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
The InChIKey is YNIRCJAPAMLIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-5-6-13(16)11(7-12)8-17-14-4-2-1-3-10(14)9-18/h1-7,17-18H,8-9H2.
What are the key properties of [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
[2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol has a molecular weight of 310.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43743125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).