4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol

C15H16FNO2 — CID 106953697

IUPAC4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
SMILESCc1cc(NCc2cc(O)cc(F)c2)c(C)cc1O
InChIInChI=1S/C15H16FNO2/c1-9-4-15(19)10(2)3-14(9)17-8-11-5-12(16)7-13(18)6-11/h3-7,17-19H,8H2,1-2H3
InChIKeyLSGXQSBJRBKHME-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.47
Rot. Bonds3

About 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol

4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol (PubChem CID 106953697) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
PubChem CID106953697
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
SMILESCc1cc(NCc2cc(O)cc(F)c2)c(C)cc1O
InChIInChI=1S/C15H16FNO2/c1-9-4-15(19)10(2)3-14(9)17-8-11-5-12(16)7-13(18)6-11/h3-7,17-19H,8H2,1-2H3
InChIKeyLSGXQSBJRBKHME-UHFFFAOYSA-N
XLogP3.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
CID 107591256
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
4-(furan-3-ylmethylamino)-2,5-dimethylphenol
CID 106954030
4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 105403343
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylphenol
CID 106953607
4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-2,5-dimethylphenol
CID 106953819
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol (CID 106953697) is 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol is Cc1cc(NCc2cc(O)cc(F)c2)c(C)cc1O.
What is the InChIKey of 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol?
The InChIKey is LSGXQSBJRBKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-4-15(19)10(2)3-14(9)17-8-11-5-12(16)7-13(18)6-11/h3-7,17-19H,8H2,1-2H3.
What are the key properties of 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol?
4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol has a molecular weight of 261.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106953697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).