2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile

C14H14N2O — CID 107106481

IUPAC2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1N(C)Cc1ccco1
InChIInChI=1S/C14H14N2O/c1-11-5-3-6-12(9-15)14(11)16(2)10-13-7-4-8-17-13/h3-8H,10H2,1-2H3
InChIKeySAOUIIJSNLTYQN-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds3

About 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile

2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile (PubChem CID 107106481) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
PubChem CID107106481
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1N(C)Cc1ccco1
InChIInChI=1S/C14H14N2O/c1-11-5-3-6-12(9-15)14(11)16(2)10-13-7-4-8-17-13/h3-8H,10H2,1-2H3
InChIKeySAOUIIJSNLTYQN-UHFFFAOYSA-N
XLogP3.10
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 107106576
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 54934467
2-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzonitrile
CID 107107039
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzonitrile
CID 107106729
2-[5-hydroxypentyl(methyl)amino]-3-methylbenzonitrile
CID 107199604
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
3-methyl-2-[methyl(pentan-3-yl)amino]benzonitrile
CID 107106506
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile (CID 107106481) is 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile is Cc1cccc(C#N)c1N(C)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
The InChIKey is SAOUIIJSNLTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-5-3-6-12(9-15)14(11)16(2)10-13-7-4-8-17-13/h3-8H,10H2,1-2H3.
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile has a molecular weight of 226.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 107106481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).