N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine

C15H14F3N — CID 43490212

IUPACN-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-2-19-15(10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9,15,19H,2H2,1H3
InChIKeyRTJFDFSZRBFGQV-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.80
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 43490212) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID43490212
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-2-19-15(10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9,15,19H,2H2,1H3
InChIKeyRTJFDFSZRBFGQV-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(2,6-dimethyl-3-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092816
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
[(2,5-difluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105219304

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine (CID 43490212) is N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is RTJFDFSZRBFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-19-15(10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43490212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).