2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine

C15H13F4N — CID 62316403

IUPAC2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CCNCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F4N/c16-12-5-10(6-13(17)8-12)3-4-20-9-11-1-2-14(18)15(19)7-11/h1-2,5-8,20H,3-4,9H2
InChIKeyGIAGGNGKPARVFJ-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.58
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine

2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 62316403) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
PubChem CID62316403
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CCNCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F4N/c16-12-5-10(6-13(17)8-12)3-4-20-9-11-1-2-14(18)15(19)7-11/h1-2,5-8,20H,3-4,9H2
InChIKeyGIAGGNGKPARVFJ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]aniline
CID 115211983
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)ethanamine
CID 68882968
N-[(3,4-difluorophenyl)methyl]-N',N'-bis[2-[(3,4-difluorophenyl)methylamino]ethyl]ethane-1,2-diamine
CID 59750973
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
[2-(3,4-difluorophenyl)ethylamino]methanethiol
CID 115228233
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(3,5-difluorophenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66415967

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine (CID 62316403) is 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine is Fc1cc(F)cc(CCNCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is GIAGGNGKPARVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c16-12-5-10(6-13(17)8-12)3-4-20-9-11-1-2-14(18)15(19)7-11/h1-2,5-8,20H,3-4,9H2.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine?
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 283.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 62316403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).