2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol

C14H13ClFNO — CID 107694475

IUPAC2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
SMILESCc1cccc(Cl)c1NCc1cc(F)ccc1O
InChIInChI=1S/C14H13ClFNO/c1-9-3-2-4-12(15)14(9)17-8-10-7-11(16)5-6-13(10)18/h2-7,17-18H,8H2,1H3
InChIKeyCTHKMOPFWYOGLF-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.11
Rot. Bonds3

About 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol

2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol (PubChem CID 107694475) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
PubChem CID107694475
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
SMILESCc1cccc(Cl)c1NCc1cc(F)ccc1O
InChIInChI=1S/C14H13ClFNO/c1-9-3-2-4-12(15)14(9)17-8-10-7-11(16)5-6-13(10)18/h2-7,17-18H,8H2,1H3
InChIKeyCTHKMOPFWYOGLF-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorophenol
CID 107694554
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
CID 102616009
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
CID 66257993
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66254209
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol (CID 107694475) is 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol is Cc1cccc(Cl)c1NCc1cc(F)ccc1O.
What is the InChIKey of 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol?
The InChIKey is CTHKMOPFWYOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-3-2-4-12(15)14(9)17-8-10-7-11(16)5-6-13(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol?
2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol has a molecular weight of 265.71 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol is sourced from PubChem (CID 107694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).