1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine

C17H18F2N2 — CID 166842219

IUPAC1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine
SMILESC=C(Nc1ccc(F)c(NC)c1F)c1cc(C)ccc1C
InChIInChI=1S/C17H18F2N2/c1-10-5-6-11(2)13(9-10)12(3)21-15-8-7-14(18)17(20-4)16(15)19/h5-9,20-21H,3H2,1-2,4H3
InChIKeyIQJIYVMMNHMWDA-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.71
Rot. Bonds4

About 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine

1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine (PubChem CID 166842219) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine
PubChem CID166842219
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine
SMILESC=C(Nc1ccc(F)c(NC)c1F)c1cc(C)ccc1C
InChIInChI=1S/C17H18F2N2/c1-10-5-6-11(2)13(9-10)12(3)21-15-8-7-14(18)17(20-4)16(15)19/h5-9,20-21H,3H2,1-2,4H3
InChIKeyIQJIYVMMNHMWDA-UHFFFAOYSA-N
XLogP4.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
CID 170143684
2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
CID 138652655
N-[1-[5-[[4,4-dichloro-3-(3-fluoro-4-methylphenyl)pent-1-en-2-yl]amino]-2-methylphenyl]ethenyl]-2-fluoro-4-methylaniline
CID 138652915
2,4-difluoro-3-(methylamino)phenol
CID 18457325
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2450403
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine (CID 166842219) is 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine is C=C(Nc1ccc(F)c(NC)c1F)c1cc(C)ccc1C.
What is the InChIKey of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine?
The InChIKey is IQJIYVMMNHMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-10-5-6-11(2)13(9-10)12(3)21-15-8-7-14(18)17(20-4)16(15)19/h5-9,20-21H,3H2,1-2,4H3.
What are the key properties of 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine?
1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine has a molecular weight of 288.34 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 166842219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).