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

C15H16N2O — CID 61370835

IUPAC3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
SMILESCc1occc1CN(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H16N2O/c1-12-15(6-7-18-12)11-17(2)10-14-5-3-4-13(8-14)9-16/h3-8H,10-11H2,1-2H3
InChIKeyJWUCPEQXPWUSRV-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.09
Rot. Bonds4

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

3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile (PubChem CID 61370835) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
PubChem CID61370835
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
SMILESCc1occc1CN(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H16N2O/c1-12-15(6-7-18-12)11-17(2)10-14-5-3-4-13(8-14)9-16/h3-8H,10-11H2,1-2H3
InChIKeyJWUCPEQXPWUSRV-UHFFFAOYSA-N
XLogP3.09
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
3-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]benzonitrile
CID 51224116
3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
CID 65476778
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
3-[[(5-bromofuran-2-yl)methyl-methylamino]methyl]benzonitrile
CID 37421336
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 62968285
3-[[methyl(pentyl)amino]methyl]benzonitrile
CID 43294880
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]benzonitrile
CID 54942356

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile (CID 61370835) is 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile is Cc1occc1CN(C)Cc1cccc(C#N)c1.
What is the InChIKey of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is JWUCPEQXPWUSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-15(6-7-18-12)11-17(2)10-14-5-3-4-13(8-14)9-16/h3-8H,10-11H2,1-2H3.
What are the key properties of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile?
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 61370835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).