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

C13H10ClF2NO — CID 55145340

IUPAC[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(F)c2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-10-6-9(5-4-8(10)7-17)18-12-3-1-2-11(15)13(12)16/h1-6H,7,17H2
InChIKeyWVLSAICBIIAIHM-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.87
Rot. Bonds3

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

[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine (PubChem CID 55145340) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
PubChem CID55145340
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(F)c2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-10-6-9(5-4-8(10)7-17)18-12-3-1-2-11(15)13(12)16/h1-6H,7,17H2
InChIKeyWVLSAICBIIAIHM-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-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
CID 66843725
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine (CID 55145340) is [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine is NCc1ccc(Oc2cccc(F)c2F)cc1Cl.
What is the InChIKey of [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine?
The InChIKey is WVLSAICBIIAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-10-6-9(5-4-8(10)7-17)18-12-3-1-2-11(15)13(12)16/h1-6H,7,17H2.
What are the key properties of [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine?
[2-chloro-4-(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 [2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 55145340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).