3-[(2-chloro-6-fluorophenyl)methylamino]phenol

C13H11ClFNO — CID 28722844

IUPAC3-[(2-chloro-6-fluorophenyl)methylamino]phenol
SMILESOc1cccc(NCc2c(F)cccc2Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-12-5-2-6-13(15)11(12)8-16-9-3-1-4-10(17)7-9/h1-7,16-17H,8H2
InChIKeyQXLNKWQYWWJEIR-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.80
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methylamino]phenol

3-[(2-chloro-6-fluorophenyl)methylamino]phenol (PubChem CID 28722844) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylamino]phenol
PubChem CID28722844
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylamino]phenol
SMILESOc1cccc(NCc2c(F)cccc2Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-12-5-2-6-13(15)11(12)8-16-9-3-1-4-10(17)7-9/h1-7,16-17H,8H2
InChIKeyQXLNKWQYWWJEIR-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
1-chloro-3-fluoro-2-[[3-(sulfamoylamino)anilino]methyl]benzene
CID 43742045
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-[(3-hydroxyanilino)methyl]benzene-1,3,5-triol
CID 21321371
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]phenol?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]phenol (CID 28722844) is 3-[(2-chloro-6-fluorophenyl)methylamino]phenol.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylamino]phenol?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylamino]phenol is Oc1cccc(NCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylamino]phenol?
The InChIKey is QXLNKWQYWWJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-12-5-2-6-13(15)11(12)8-16-9-3-1-4-10(17)7-9/h1-7,16-17H,8H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylamino]phenol?
3-[(2-chloro-6-fluorophenyl)methylamino]phenol has a molecular weight of 251.69 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylamino]phenol is sourced from PubChem (CID 28722844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).