[4-[(2,5-difluoroanilino)methyl]phenyl]methanol

C14H13F2NO — CID 110006440

IUPAC[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2NO/c15-12-5-6-13(16)14(7-12)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyCKHRXIMHWTXULU-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.07
Rot. Bonds4

About [4-[(2,5-difluoroanilino)methyl]phenyl]methanol

[4-[(2,5-difluoroanilino)methyl]phenyl]methanol (PubChem CID 110006440) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [4-[(2,5-difluoroanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
PubChem CID110006440
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2NO/c15-12-5-6-13(16)14(7-12)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyCKHRXIMHWTXULU-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[(2,5-difluoroanilino)methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
CID 63045325
2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574524
[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006660
N-[(4-bromo-3-chlorophenyl)methyl]-2,5-difluoroaniline
CID 114076366
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
CID 28614019
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
methyl 2-[(3,4-difluorophenyl)methylamino]-4-fluorobenzoate
CID 43735155

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluoroanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2,5-difluoroanilino)methyl]phenyl]methanol (CID 110006440) is [4-[(2,5-difluoroanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,5-difluoroanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2,5-difluoroanilino)methyl]phenyl]methanol is OCc1ccc(CNc2cc(F)ccc2F)cc1.
What is the InChIKey of [4-[(2,5-difluoroanilino)methyl]phenyl]methanol?
The InChIKey is CKHRXIMHWTXULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-5-6-13(16)14(7-12)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2.
What are the key properties of [4-[(2,5-difluoroanilino)methyl]phenyl]methanol?
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol has a molecular weight of 249.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluoroanilino)methyl]phenyl]methanol is sourced from PubChem (CID 110006440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).