2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol

C16H18FNO — CID 64795397

IUPAC2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
SMILESCc1cc(C)c(CNc2ccc(O)c(F)c2)cc1C
InChIInChI=1S/C16H18FNO/c1-10-6-12(3)13(7-11(10)2)9-18-14-4-5-16(19)15(17)8-14/h4-8,18-19H,9H2,1-3H3
InChIKeyUIVVKNFISXMWPR-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.07
Rot. Bonds3

About 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol

2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol (PubChem CID 64795397) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
PubChem CID64795397
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
SMILESCc1cc(C)c(CNc2ccc(O)c(F)c2)cc1C
InChIInChI=1S/C16H18FNO/c1-10-6-12(3)13(7-11(10)2)9-18-14-4-5-16(19)15(17)8-14/h4-8,18-19H,9H2,1-3H3
InChIKeyUIVVKNFISXMWPR-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
4-(ethylamino)-2-fluorophenol
CID 64793889
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
2-fluoro-4-(propylamino)phenol
CID 64780527
[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
CID 115777910
3-iodo-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43784979
4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol (CID 64795397) is 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol is Cc1cc(C)c(CNc2ccc(O)c(F)c2)cc1C.
What is the InChIKey of 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol?
The InChIKey is UIVVKNFISXMWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-6-12(3)13(7-11(10)2)9-18-14-4-5-16(19)15(17)8-14/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol?
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol has a molecular weight of 259.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol is sourced from PubChem (CID 64795397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).