2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile

C18H17ClN2 — CID 43347921

IUPAC2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17ClN2/c1-12(14-6-5-13-3-2-4-15(13)9-14)21-17-8-7-16(11-20)18(19)10-17/h5-10,12,21H,2-4H2,1H3
InChIKeyVHHSVBPQAGXUQI-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.87
Rot. Bonds3

About 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile

2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile (PubChem CID 43347921) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
PubChem CID43347921
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17ClN2/c1-12(14-6-5-13-3-2-4-15(13)9-14)21-17-8-7-16(11-20)18(19)10-17/h5-10,12,21H,2-4H2,1H3
InChIKeyVHHSVBPQAGXUQI-UHFFFAOYSA-N
XLogP4.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzonitrile
CID 43348025
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931
4-[1-(3,4-dichlorophenyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788207
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
CID 63939427
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
CID 55151861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile?
The IUPAC name of 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile (CID 43347921) is 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile is CC(Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile?
The InChIKey is VHHSVBPQAGXUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12(14-6-5-13-3-2-4-15(13)9-14)21-17-8-7-16(11-20)18(19)10-17/h5-10,12,21H,2-4H2,1H3.
What are the key properties of 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile?
2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile has a molecular weight of 296.80 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile is sourced from PubChem (CID 43347921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).