2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile

C18H18N2 — CID 134043154

IUPAC2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)C1CCc2ccccc21
InChIInChI=1S/C18H18N2/c1-20(13-16-8-3-2-7-15(16)12-19)18-11-10-14-6-4-5-9-17(14)18/h2-9,18H,10-11,13H2,1H3
InChIKeyMFFRRBYUUSIFOK-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.68
Rot. Bonds3

About 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile

2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile (PubChem CID 134043154) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
PubChem CID134043154
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)C1CCc2ccccc21
InChIInChI=1S/C18H18N2/c1-20(13-16-8-3-2-7-15(16)12-19)18-11-10-14-6-4-5-9-17(14)18/h2-9,18H,10-11,13H2,1H3
InChIKeyMFFRRBYUUSIFOK-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
4-bromo-2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82977314
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039099
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716455
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
The IUPAC name of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile (CID 134043154) is 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile is CN(Cc1ccccc1C#N)C1CCc2ccccc21.
What is the InChIKey of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
The InChIKey is MFFRRBYUUSIFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(13-16-8-3-2-7-15(16)12-19)18-11-10-14-6-4-5-9-17(14)18/h2-9,18H,10-11,13H2,1H3.
What are the key properties of 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile is sourced from PubChem (CID 134043154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).