1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine

C15H14FN — CID 123572426

IUPAC1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccc(Cc2cccc(F)c2)cc1
InChIInChI=1S/C15H14FN/c1-11(17)14-7-5-12(6-8-14)9-13-3-2-4-15(16)10-13/h2-8,10,17H,9H2,1H3/b17-11+
InChIKeyZFVAREKCFACSQM-GZTJUZNOSA-N
MW227.28 g/mol
LogP3.80
Rot. Bonds3

About 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine

1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine (PubChem CID 123572426) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine
PubChem CID123572426
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccc(Cc2cccc(F)c2)cc1
InChIInChI=1S/C15H14FN/c1-11(17)14-7-5-12(6-8-14)9-13-3-2-4-15(16)10-13/h2-8,10,17H,9H2,1H3/b17-11+
InChIKeyZFVAREKCFACSQM-GZTJUZNOSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluorophenyl)pentan-2-imine
CID 157154462
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
1-(4-fluoro-2-methylphenyl)ethanimine
CID 118373171
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
CID 67973755
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995
4-[(3-fluorophenyl)methylsulfanylmethyl]benzenecarbothioamide
CID 82178648
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-(4-tert-butylphenyl)ethanimine
CID 20718021

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine?
The IUPAC name of 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine (CID 123572426) is 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine is [H]/N=C(\C)c1ccc(Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine?
The InChIKey is ZFVAREKCFACSQM-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14FN/c1-11(17)14-7-5-12(6-8-14)9-13-3-2-4-15(16)10-13/h2-8,10,17H,9H2,1H3/b17-11+.
What are the key properties of 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine?
1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine has a molecular weight of 227.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine is sourced from PubChem (CID 123572426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).