[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine

C13H10ClF2NO — CID 63082321

IUPAC[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1cccc(F)c1F
InChIInChI=1S/C13H10ClF2NO/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-6H,7,17H2
InChIKeyAAGGZKUJPQTMFN-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.87
Rot. Bonds3

About [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine

[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine (PubChem CID 63082321) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
PubChem CID63082321
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1cccc(F)c1F
InChIInChI=1S/C13H10ClF2NO/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-6H,7,17H2
InChIKeyAAGGZKUJPQTMFN-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
4-chloro-2-(2,3-difluorophenoxy)benzoic acid
CID 63082872
[2-bromo-4-(5-chloro-2-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532719
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
(2,3-difluorophenyl)methanamine
CID 2736941
2-[5-chloro-2-(hydroxymethyl)phenoxy]-6-fluorobenzonitrile
CID 114846109

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine (CID 63082321) is [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine is NCc1ccc(Cl)cc1Oc1cccc(F)c1F.
What is the InChIKey of [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine?
The InChIKey is AAGGZKUJPQTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-6H,7,17H2.
What are the key properties of [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine?
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine has a molecular weight of 269.68 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 63082321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).