[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine

C13H11ClFNO — CID 43314193

IUPAC[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1ccccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-11-3-1-2-4-13(11)17-12-6-5-10(15)7-9(12)8-16/h1-7H,8,16H2
InChIKeyQBFNECVUZKTDNF-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.73
Rot. Bonds3

About [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine

[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine (PubChem CID 43314193) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
PubChem CID43314193
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1ccccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-11-3-1-2-4-13(11)17-12-6-5-10(15)7-9(12)8-16/h1-7H,8,16H2
InChIKeyQBFNECVUZKTDNF-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine
CID 114069271
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine (CID 43314193) is [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine is NCc1cc(F)ccc1Oc1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine?
The InChIKey is QBFNECVUZKTDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-11-3-1-2-4-13(11)17-12-6-5-10(15)7-9(12)8-16/h1-7H,8,16H2.
What are the key properties of [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine?
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine has a molecular weight of 251.69 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43314193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).