3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile

C15H16N2O — CID 107106576

IUPAC3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
SMILESCc1cccc(C#N)c1N(C)Cc1ccoc1C
InChIInChI=1S/C15H16N2O/c1-11-5-4-6-13(9-16)15(11)17(3)10-14-7-8-18-12(14)2/h4-8H,10H2,1-3H3
InChIKeyAAEOKYRELLQRGJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.40
Rot. Bonds3

About 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile

3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile (PubChem CID 107106576) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
PubChem CID107106576
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
SMILESCc1cccc(C#N)c1N(C)Cc1ccoc1C
InChIInChI=1S/C15H16N2O/c1-11-5-4-6-13(9-16)15(11)17(3)10-14-7-8-18-12(14)2/h4-8H,10H2,1-3H3
InChIKeyAAEOKYRELLQRGJ-UHFFFAOYSA-N
XLogP3.40
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 61372789
2-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 107106481
3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 78988459
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80510431
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
2-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzonitrile
CID 107107039
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzonitrile
CID 107106729
2-(aminomethyl)-6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114068254
2-[5-hydroxypentyl(methyl)amino]-3-methylbenzonitrile
CID 107199604
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
CID 61370835
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 81060176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile?
The IUPAC name of 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile (CID 107106576) is 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile.
What is the SMILES notation for 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile?
The canonical SMILES for 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile is Cc1cccc(C#N)c1N(C)Cc1ccoc1C.
What is the InChIKey of 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile?
The InChIKey is AAEOKYRELLQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-5-4-6-13(9-16)15(11)17(3)10-14-7-8-18-12(14)2/h4-8H,10H2,1-3H3.
What are the key properties of 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile?
3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile is sourced from PubChem (CID 107106576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).