3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol

C14H13ClFNO2 — CID 114318245

IUPAC3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
SMILESCOc1ccc(F)c(NCc2c(O)cccc2Cl)c1
InChIInChI=1S/C14H13ClFNO2/c1-19-9-5-6-12(16)13(7-9)17-8-10-11(15)3-2-4-14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyHMWHYXJXXYGXOD-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.81
Rot. Bonds4

About 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol

3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol (PubChem CID 114318245) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
PubChem CID114318245
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
SMILESCOc1ccc(F)c(NCc2c(O)cccc2Cl)c1
InChIInChI=1S/C14H13ClFNO2/c1-19-9-5-6-12(16)13(7-9)17-8-10-11(15)3-2-4-14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyHMWHYXJXXYGXOD-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 114318204
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
2-[(2-bromo-4-chloroanilino)methyl]-3-chlorophenol
CID 114318253
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924
2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
CID 103291752
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
2-[(2-bromo-5-fluoroanilino)methyl]-3-chlorophenol
CID 107633445
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
3-[(2-chloro-6-hydroxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 114318071
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol?
The IUPAC name of 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol (CID 114318245) is 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol is COc1ccc(F)c(NCc2c(O)cccc2Cl)c1.
What is the InChIKey of 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol?
The InChIKey is HMWHYXJXXYGXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-19-9-5-6-12(16)13(7-9)17-8-10-11(15)3-2-4-14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol?
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol has a molecular weight of 281.71 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol is sourced from PubChem (CID 114318245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).