4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile

C10H11F2N3 — CID 81294307

IUPAC4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
SMILESCN(CCN)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C10H11F2N3/c1-15(3-2-13)10-8(11)4-7(6-14)5-9(10)12/h4-5H,2-3,13H2,1H3
InChIKeyNRXXUCHCTLLOLO-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.23
Rot. Bonds3

About 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile

4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile (PubChem CID 81294307) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
PubChem CID81294307
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
SMILESCN(CCN)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C10H11F2N3/c1-15(3-2-13)10-8(11)4-7(6-14)5-9(10)12/h4-5H,2-3,13H2,1H3
InChIKeyNRXXUCHCTLLOLO-UHFFFAOYSA-N
XLogP1.23
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 82506193
4-(4-cyano-2,6-difluoro-N-methylanilino)butanoic acid
CID 81293903
3,5-difluoro-4-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 71996789
3,5-difluoro-4-[methyl(pyrazin-2-ylmethyl)amino]benzonitrile
CID 133449033
4-(dibutylamino)-3,5-difluorobenzonitrile
CID 81282963
4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile
CID 81283184
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62685924
3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 78988459
N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide
CID 173165394
4-[2-aminoethyl(methyl)amino]-3-bromobenzonitrile
CID 82809116
3,5-difluoro-4-(N,3,5-trimethylanilino)benzonitrile
CID 81283403
4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3,5-difluorobenzonitrile
CID 133279822

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile (CID 81294307) is 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile is CN(CCN)c1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile?
The InChIKey is NRXXUCHCTLLOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-15(3-2-13)10-8(11)4-7(6-14)5-9(10)12/h4-5H,2-3,13H2,1H3.
What are the key properties of 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile?
4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile has a molecular weight of 211.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile is sourced from PubChem (CID 81294307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).