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

C14H14N2O — CID 54934467

IUPAC4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N(C)Cc1ccco1
InChIInChI=1S/C14H14N2O/c1-11-8-12(9-15)5-6-14(11)16(2)10-13-4-3-7-17-13/h3-8H,10H2,1-2H3
InChIKeyXGXFMNMJRVFWRB-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds3

About 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile

4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile (PubChem CID 54934467) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
PubChem CID54934467
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N(C)Cc1ccco1
InChIInChI=1S/C14H14N2O/c1-11-8-12(9-15)5-6-14(11)16(2)10-13-4-3-7-17-13/h3-8H,10H2,1-2H3
InChIKeyXGXFMNMJRVFWRB-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-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
CID 114481043
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methylbenzonitrile
CID 54984570
4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
CID 63786459
3-bromo-4-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 82796951
2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 107106481
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile (CID 54934467) is 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile is Cc1cc(C#N)ccc1N(C)Cc1ccco1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
The InChIKey is XGXFMNMJRVFWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-8-12(9-15)5-6-14(11)16(2)10-13-4-3-7-17-13/h3-8H,10H2,1-2H3.
What are the key properties of 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile?
4-[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 4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 54934467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).