N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine

C15H14FN — CID 964423

IUPACN-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(F)cc2)cc1C
InChIInChI=1S/C15H14FN/c1-11-3-8-15(9-12(11)2)17-10-13-4-6-14(16)7-5-13/h3-10H,1-2H3/b17-10+
InChIKeyHBEHYGAVDFVSNN-LICLKQGHSA-N
MW227.28 g/mol
LogP4.19
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine

N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine (PubChem CID 964423) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine
PubChem CID964423
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC NameN-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(F)cc2)cc1C
InChIInChI=1S/C15H14FN/c1-11-3-8-15(9-12(11)2)17-10-13-4-6-14(16)7-5-13/h3-10H,1-2H3/b17-10+
InChIKeyHBEHYGAVDFVSNN-LICLKQGHSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 54.19
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

N,N-Dimethyl-alpha-(3,4-xylylimino)-P-toluidine
CID 691368
N-Benzylideneaniline
CID 10858
N-benzylidene-4-methylaniline
CID 75276
N-(4-Methylbenzylidene)-P-toluidine
CID 525721
Morphanthridine
CID 10878016
2-(Benzylideneamino)fluorene
CID 139644
N-Benzylidene-2-naphthylamine
CID 300779
N-(1-naphthyl)-N-(phenylmethylene)amine
CID 1201463
N-(4-Methylbenzylidene)aniline
CID 525732
(E)-N-(4-(Trifluoromethyl)benzylidene)aniline
CID 11747016
N-(4-Fluorobenzylidene)-4-iodoaniline
CID 554998
N-Benzylidene-4-biphenylamine
CID 292639

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine (CID 964423) is N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine is Cc1ccc(/N=C/c2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine?
The InChIKey is HBEHYGAVDFVSNN-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14FN/c1-11-3-8-15(9-12(11)2)17-10-13-4-6-14(16)7-5-13/h3-10H,1-2H3/b17-10+.
What are the key properties of N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine?
N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine has a molecular weight of 227.28 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 964423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).