4-[(2,5-difluoro-4-methylanilino)methyl]phenol

C14H13F2NO — CID 103585182

IUPAC4-[(2,5-difluoro-4-methylanilino)methyl]phenol
SMILESCc1cc(F)c(NCc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H13F2NO/c1-9-6-13(16)14(7-12(9)15)17-8-10-2-4-11(18)5-3-10/h2-7,17-18H,8H2,1H3
InChIKeyWDHVDPCVPIWVFP-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.59
Rot. Bonds3

About 4-[(2,5-difluoro-4-methylanilino)methyl]phenol

4-[(2,5-difluoro-4-methylanilino)methyl]phenol (PubChem CID 103585182) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-[(2,5-difluoro-4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(2,5-difluoro-4-methylanilino)methyl]phenol
PubChem CID103585182
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-[(2,5-difluoro-4-methylanilino)methyl]phenol
SMILESCc1cc(F)c(NCc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H13F2NO/c1-9-6-13(16)14(7-12(9)15)17-8-10-2-4-11(18)5-3-10/h2-7,17-18H,8H2,1H3
InChIKeyWDHVDPCVPIWVFP-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 103584823
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
N-(1,3-benzodioxol-5-ylmethyl)-2,5-difluoro-4-methylaniline
CID 103584645
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
2,4-difluoro-5-[(3-fluoro-4-methylphenyl)methylamino]benzoic acid
CID 63646043

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluoro-4-methylanilino)methyl]phenol?
The IUPAC name of 4-[(2,5-difluoro-4-methylanilino)methyl]phenol (CID 103585182) is 4-[(2,5-difluoro-4-methylanilino)methyl]phenol.
What is the SMILES notation for 4-[(2,5-difluoro-4-methylanilino)methyl]phenol?
The canonical SMILES for 4-[(2,5-difluoro-4-methylanilino)methyl]phenol is Cc1cc(F)c(NCc2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[(2,5-difluoro-4-methylanilino)methyl]phenol?
The InChIKey is WDHVDPCVPIWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-6-13(16)14(7-12(9)15)17-8-10-2-4-11(18)5-3-10/h2-7,17-18H,8H2,1H3.
What are the key properties of 4-[(2,5-difluoro-4-methylanilino)methyl]phenol?
4-[(2,5-difluoro-4-methylanilino)methyl]phenol has a molecular weight of 249.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluoro-4-methylanilino)methyl]phenol is sourced from PubChem (CID 103585182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).