2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline

C13H10ClF2NO — CID 113334465

IUPAC2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1Oc1cccc(F)c1F
InChIInChI=1S/C13H10ClF2NO/c1-7-5-10(17)8(14)6-12(7)18-11-4-2-3-9(15)13(11)16/h2-6H,17H2,1H3
InChIKeyHHNVSDAQJHIJLV-UHFFFAOYSA-N
MW269.68 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline

2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline (PubChem CID 113334465) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
PubChem CID113334465
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1Oc1cccc(F)c1F
InChIInChI=1S/C13H10ClF2NO/c1-7-5-10(17)8(14)6-12(7)18-11-4-2-3-9(15)13(11)16/h2-6H,17H2,1H3
InChIKeyHHNVSDAQJHIJLV-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
CID 115555233
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
4-(2-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
CID 63037472
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline?
The IUPAC name of 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline (CID 113334465) is 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline is Cc1cc(N)c(Cl)cc1Oc1cccc(F)c1F.
What is the InChIKey of 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline?
The InChIKey is HHNVSDAQJHIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-7-5-10(17)8(14)6-12(7)18-11-4-2-3-9(15)13(11)16/h2-6H,17H2,1H3.
What are the key properties of 2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline?
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline has a molecular weight of 269.68 g/mol, XLogP of 4.30, 2 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)-5-methylaniline is sourced from PubChem (CID 113334465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).