2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile

C16H16N2O — CID 107927277

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
SMILESCc1ccc(N(Cc2ccco2)C2CC2)c(C#N)c1
InChIInChI=1S/C16H16N2O/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,11H2,1H3
InChIKeyAHZZVNIRBWKTEP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.63
Rot. Bonds4

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile

2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile (PubChem CID 107927277) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
PubChem CID107927277
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
SMILESCc1ccc(N(Cc2ccco2)C2CC2)c(C#N)c1
InChIInChI=1S/C16H16N2O/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,11H2,1H3
InChIKeyAHZZVNIRBWKTEP-UHFFFAOYSA-N
XLogP3.63
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
CID 81050858
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 81143889
2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 82968919

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile (CID 107927277) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile is Cc1ccc(N(Cc2ccco2)C2CC2)c(C#N)c1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile?
The InChIKey is AHZZVNIRBWKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,11H2,1H3.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile?
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 107927277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).