3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile

C10H12FN3 — CID 141161263

IUPAC3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile
SMILESCN(C)c1ccc(CN)c(F)c1C#N
InChIInChI=1S/C10H12FN3/c1-14(2)9-4-3-7(5-12)10(11)8(9)6-13/h3-4H,5,12H2,1-2H3
InChIKeyRQRVSHTXNPGHIZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.22
Rot. Bonds2

About 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile

3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile (PubChem CID 141161263) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile
PubChem CID141161263
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile
SMILESCN(C)c1ccc(CN)c(F)c1C#N
InChIInChI=1S/C10H12FN3/c1-14(2)9-4-3-7(5-12)10(11)8(9)6-13/h3-4H,5,12H2,1-2H3
InChIKeyRQRVSHTXNPGHIZ-UHFFFAOYSA-N
XLogP1.22
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile
CID 66514243
3-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-(dimethylamino)-2-fluorobenzonitrile
CID 66511897
3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
CID 70206262
3-(1-amino-2-hydroxypropyl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 165344807
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585918
3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 168555369
3-(aminomethyl)-2-methyl-6-sulfanylbenzonitrile
CID 174376171
4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107932858
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 107532417
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile?
The IUPAC name of 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile (CID 141161263) is 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile?
The canonical SMILES for 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile is CN(C)c1ccc(CN)c(F)c1C#N.
What is the InChIKey of 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile?
The InChIKey is RQRVSHTXNPGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-14(2)9-4-3-7(5-12)10(11)8(9)6-13/h3-4H,5,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile?
3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile has a molecular weight of 193.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 141161263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).