2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine

C15H13ClF3N — CID 115983772

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H13ClF3N/c1-20-14(11-8-10(17)5-6-12(11)18)7-9-3-2-4-13(19)15(9)16/h2-6,8,14,20H,7H2,1H3
InChIKeyRVJWMNZVTZAUDI-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.26
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine

2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 115983772) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID115983772
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H13ClF3N/c1-20-14(11-8-10(17)5-6-12(11)18)7-9-3-2-4-13(19)15(9)16/h2-6,8,14,20H,7H2,1H3
InChIKeyRVJWMNZVTZAUDI-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
[2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 105219307
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine (CID 115983772) is 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is RVJWMNZVTZAUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-14(11-8-10(17)5-6-12(11)18)7-9-3-2-4-13(19)15(9)16/h2-6,8,14,20H,7H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115983772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).