2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine

C15H14ClF2N — CID 43482863

IUPAC2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-19-15(8-10-2-4-11(16)5-3-10)13-9-12(17)6-7-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyUTMZDQWASFBYMZ-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine

2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 43482863) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID43482863
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-19-15(8-10-2-4-11(16)5-3-10)13-9-12(17)6-7-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyUTMZDQWASFBYMZ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 63673272
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine (CID 43482863) is 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is UTMZDQWASFBYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-19-15(8-10-2-4-11(16)5-3-10)13-9-12(17)6-7-14(13)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 43482863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).