4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile

C11H14FN3 — CID 62685924

IUPAC4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
SMILESCN(CCN)Cc1ccc(C#N)cc1F
InChIInChI=1S/C11H14FN3/c1-15(5-4-13)8-10-3-2-9(7-14)6-11(10)12/h2-3,6H,4-5,8,13H2,1H3
InChIKeyYNIWAXNMQNFJNV-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.09
Rot. Bonds4

About 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile

4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile (PubChem CID 62685924) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
PubChem CID62685924
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
SMILESCN(CCN)Cc1ccc(C#N)cc1F
InChIInChI=1S/C11H14FN3/c1-15(5-4-13)8-10-3-2-9(7-14)6-11(10)12/h2-3,6H,4-5,8,13H2,1H3
InChIKeyYNIWAXNMQNFJNV-UHFFFAOYSA-N
XLogP1.09
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzonitrile
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4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzonitrile
CID 43458571
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-3-fluorobenzonitrile
CID 60703914
3-fluoro-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 63265350
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
3-fluoro-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 32690208
3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722515
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
3-fluoro-4-[(N,3,5-trimethylanilino)methyl]benzonitrile
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4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile (CID 62685924) is 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile is CN(CCN)Cc1ccc(C#N)cc1F.
What is the InChIKey of 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile?
The InChIKey is YNIWAXNMQNFJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-15(5-4-13)8-10-3-2-9(7-14)6-11(10)12/h2-3,6H,4-5,8,13H2,1H3.
What are the key properties of 4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile?
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile has a molecular weight of 207.25 g/mol, XLogP of 1.09, 4 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]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 62685924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).