2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile

C17H15ClN2 — CID 63939427

IUPAC2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C17H15ClN2/c18-17-9-16(7-6-15(17)10-19)20-11-12-4-5-13-2-1-3-14(13)8-12/h4-9,20H,1-3,11H2
InChIKeySEXYVYWJGQNLTQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile

2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile (PubChem CID 63939427) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
PubChem CID63939427
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C17H15ClN2/c18-17-9-16(7-6-15(17)10-19)20-11-12-4-5-13-2-1-3-14(13)8-12/h4-9,20H,1-3,11H2
InChIKeySEXYVYWJGQNLTQ-UHFFFAOYSA-N
XLogP4.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile
CID 65336582
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
2-chloro-4-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816229
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzonitrile
CID 83235729
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 55770128
2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzonitrile
CID 43347932
2-chloro-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]benzonitrile
CID 133345411
5-[(3-chloro-4-cyanoanilino)methyl]-2-methoxybenzonitrile
CID 65336304
2-chloro-4-[(4-nitrophenyl)methylamino]benzonitrile
CID 43244756
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzonitrile
CID 43347931
N-[(4-chloro-3-nitrophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115281341
2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
CID 43347921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile (CID 63939427) is 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile is N#Cc1ccc(NCc2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile?
The InChIKey is SEXYVYWJGQNLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-17-9-16(7-6-15(17)10-19)20-11-12-4-5-13-2-1-3-14(13)8-12/h4-9,20H,1-3,11H2.
What are the key properties of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile?
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile has a molecular weight of 282.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile is sourced from PubChem (CID 63939427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).