N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine

C15H13ClF3N — CID 43490184

IUPACN-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(11-5-3-9(16)7-14(11)19)12-8-10(17)4-6-13(12)18/h3-8,15,20H,2H2,1H3
InChIKeyXTVIDGVZBZXGJW-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine

N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43490184) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43490184
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(11-5-3-9(16)7-14(11)19)12-8-10(17)4-6-13(12)18/h3-8,15,20H,2H2,1H3
InChIKeyXTVIDGVZBZXGJW-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(2-bromo-3,4-difluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 107539255
N-[(2-bromo-4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107992961
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine (CID 43490184) is N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1F)c1cc(F)ccc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is XTVIDGVZBZXGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-2-20-15(11-5-3-9(16)7-14(11)19)12-8-10(17)4-6-13(12)18/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43490184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).