4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline

C15H14ClFN2 — CID 961509

IUPAC4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2/c1-19(2)13-6-3-11(4-7-13)10-18-12-5-8-15(17)14(16)9-12/h3-10H,1-2H3/b18-10+
InChIKeyHSPKPLNGPBSDRT-VCHYOVAHSA-N
MW276.74 g/mol
LogP4.30
Rot. Bonds3

About 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline

4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline (PubChem CID 961509) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline
PubChem CID961509
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2/c1-19(2)13-6-3-11(4-7-13)10-18-12-5-8-15(17)14(16)9-12/h3-10H,1-2H3/b18-10+
InChIKeyHSPKPLNGPBSDRT-VCHYOVAHSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[p-(Dimethylamino)benzylidene]aniline
CID 234157
N-(4-Methylbenzylidene)-3-chloroaniline
CID 525712
N-(4-Chlorobenzylidene)-p-toluidine
CID 525683
Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)imino]methyl]-
CID 915196
MAT2A inhibitor 4
CID 60141313
Benzenamine, 3,5-dichloro-N-[(4-fluorophenyl)methylene]-
CID 690809
N-Benzylidene-3-chloroaniline
CID 525549
N-(4-(Dimethylamino)benzylidene)-4-fluoroaniline
CID 1810038
N-(2-Chlorobenzylidene)-4-fluoroaniline
CID 16217818
N-[4-(Diethylamino)benzylidene]-4-fluoroaniline
CID 620508
(E)-1-(2-Chlorophenyl)-N-(4-methylphenyl)methanimine
CID 4220019
Benzaldehyde, 2-chloro-4-dimethylamino-, oxime
CID 9570804

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline (CID 961509) is 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline?
The InChIKey is HSPKPLNGPBSDRT-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H14ClFN2/c1-19(2)13-6-3-11(4-7-13)10-18-12-5-8-15(17)14(16)9-12/h3-10H,1-2H3/b18-10+.
What are the key properties of 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline?
4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline has a molecular weight of 276.74 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 961509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).