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

C15H13ClF3N — CID 115809397

IUPAC1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cccc(F)c1Cl
InChIInChI=1S/C15H13ClF3N/c1-20-14(11-3-2-4-13(19)15(11)16)8-9-7-10(17)5-6-12(9)18/h2-7,14,20H,8H2,1H3
InChIKeyUNOZGBMBZPEAGJ-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.26
Rot. Bonds4

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

1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 115809397) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID115809397
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cccc(F)c1Cl
InChIInChI=1S/C15H13ClF3N/c1-20-14(11-3-2-4-13(19)15(11)16)8-9-7-10(17)5-6-12(9)18/h2-7,14,20H,8H2,1H3
InChIKeyUNOZGBMBZPEAGJ-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-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 115809397) is 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is UNOZGBMBZPEAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-14(11-3-2-4-13(19)15(11)16)8-9-7-10(17)5-6-12(9)18/h2-7,14,20H,8H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(2-chloro-3-fluorophenyl)-2-(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 1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115809397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).