4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile

C18H18N2 — CID 47147174

IUPAC4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccc(C#N)cc1)C1CCc2ccccc21
InChIInChI=1S/C18H18N2/c1-20(13-15-8-6-14(12-19)7-9-15)18-11-10-16-4-2-3-5-17(16)18/h2-9,18H,10-11,13H2,1H3
InChIKeyCHQXWDLPJMFTKQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.68
Rot. Bonds3

About 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile

4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile (PubChem CID 47147174) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
PubChem CID47147174
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccc(C#N)cc1)C1CCc2ccccc21
InChIInChI=1S/C18H18N2/c1-20(13-15-8-6-14(12-19)7-9-15)18-11-10-16-4-2-3-5-17(16)18/h2-9,18H,10-11,13H2,1H3
InChIKeyCHQXWDLPJMFTKQ-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]benzonitrile
CID 134043154
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
1-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)thiourea
CID 57137659
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
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-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853
1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742169

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile (CID 47147174) is 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile is CN(Cc1ccc(C#N)cc1)C1CCc2ccccc21.
What is the InChIKey of 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
The InChIKey is CHQXWDLPJMFTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(13-15-8-6-14(12-19)7-9-15)18-11-10-16-4-2-3-5-17(16)18/h2-9,18H,10-11,13H2,1H3.
What are the key properties of 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile?
4-[[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 4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile is sourced from PubChem (CID 47147174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).