N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine

C16H15F2N — CID 145492710

IUPACN-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine
SMILESC/C(=N\CCc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H15F2N/c1-12(14-5-3-2-4-6-14)19-10-9-13-7-8-15(17)16(18)11-13/h2-8,11H,9-10H2,1H3/b19-12+
InChIKeyMANGHJXTMPGDAJ-XDHOZWIPSA-N
MW259.30 g/mol
LogP4.02
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine

N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine (PubChem CID 145492710) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine
PubChem CID145492710
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine
SMILESC/C(=N\CCc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H15F2N/c1-12(14-5-3-2-4-6-14)19-10-9-13-7-8-15(17)16(18)11-13/h2-8,11H,9-10H2,1H3/b19-12+
InChIKeyMANGHJXTMPGDAJ-XDHOZWIPSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
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2-[2-(3-bromo-4-fluorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110926291
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
4-(3,4-difluorophenyl)-2,2-dimethylbutanoic acid
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(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
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4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine (CID 145492710) is N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine is C/C(=N\CCc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine?
The InChIKey is MANGHJXTMPGDAJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H15F2N/c1-12(14-5-3-2-4-6-14)19-10-9-13-7-8-15(17)16(18)11-13/h2-8,11H,9-10H2,1H3/b19-12+.
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine?
N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine has a molecular weight of 259.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-1-phenylethanimine is sourced from PubChem (CID 145492710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).