2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile

C11H11FN2 — CID 63668009

IUPAC2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
SMILESCN(c1ccc(F)cc1C#N)C1CC1
InChIInChI=1S/C11H11FN2/c1-14(10-3-4-10)11-5-2-9(12)6-8(11)7-13/h2,5-6,10H,3-4H2,1H3
InChIKeyUMLZBXARPLNSSH-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.30
Rot. Bonds2

About 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile

2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile (PubChem CID 63668009) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
PubChem CID63668009
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
SMILESCN(c1ccc(F)cc1C#N)C1CC1
InChIInChI=1S/C11H11FN2/c1-14(10-3-4-10)11-5-2-9(12)6-8(11)7-13/h2,5-6,10H,3-4H2,1H3
InChIKeyUMLZBXARPLNSSH-UHFFFAOYSA-N
XLogP2.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile
CID 55232315
2-[(4-aminocyclohexyl)-methylamino]-5-(trifluoromethyl)benzonitrile
CID 79113655
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
CID 114890449
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
2-[methyl-(4-methylcyclohexyl)amino]-5-nitrobenzonitrile
CID 40677282
4-bromo-2-[cyclopropyl(methyl)amino]benzonitrile
CID 114901416
2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673765
4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile
CID 60928920
5-fluoro-2-[3-hydroxybutyl(methyl)amino]benzonitrile
CID 115658291

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile (CID 63668009) is 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile is CN(c1ccc(F)cc1C#N)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile?
The InChIKey is UMLZBXARPLNSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-14(10-3-4-10)11-5-2-9(12)6-8(11)7-13/h2,5-6,10H,3-4H2,1H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile?
2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile has a molecular weight of 190.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 63668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).