[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol

C14H13BrFNO — CID 113365750

IUPAC[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H13BrFNO/c15-13-7-12(16)5-6-14(13)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyFOTNSHZAFKMQKL-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.69
Rot. Bonds4

About [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol

[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol (PubChem CID 113365750) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
PubChem CID113365750
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H13BrFNO/c15-13-7-12(16)5-6-14(13)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyFOTNSHZAFKMQKL-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

[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006660
4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
CID 28939104
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-fluoroaniline
CID 60868599
2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline
CID 28938849
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336157
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 110006750
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
2-[(2-bromo-4-chloroanilino)methyl]-4-fluorophenol
CID 107694491

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol (CID 113365750) is [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol is OCc1ccc(CNc2ccc(F)cc2Br)cc1.
What is the InChIKey of [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol?
The InChIKey is FOTNSHZAFKMQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-13-7-12(16)5-6-14(13)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2.
What are the key properties of [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol?
[4-[(2-bromo-4-fluoroanilino)methyl]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 [4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol is sourced from PubChem (CID 113365750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).