[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine

C13H11ClFNO — CID 114069271

IUPAC[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1Oc1ccccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-10-5-1-2-7-12(10)17-13-9(8-16)4-3-6-11(13)15/h1-7H,8,16H2
InChIKeyJWBVAIZWENWZDN-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.73
Rot. Bonds3

About [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine

[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine (PubChem CID 114069271) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine
PubChem CID114069271
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1Oc1ccccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-10-5-1-2-7-12(10)17-13-9(8-16)4-3-6-11(13)15/h1-7H,8,16H2
InChIKeyJWBVAIZWENWZDN-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-fluorophenyl]methanamine
CID 43314193
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-(2-chlorophenoxy)-3,4-difluoroaniline
CID 62533366
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine (CID 114069271) is [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine is NCc1cccc(F)c1Oc1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine?
The InChIKey is JWBVAIZWENWZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-5-1-2-7-12(10)17-13-9(8-16)4-3-6-11(13)15/h1-7H,8,16H2.
What are the key properties of [2-(2-chlorophenoxy)-3-fluorophenyl]methanamine?
[2-(2-chlorophenoxy)-3-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)-3-fluorophenyl]methanamine is sourced from PubChem (CID 114069271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).