N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine

C12H14ClN — CID 103830755

IUPACN-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
SMILESCl/C=C/CNC1Cc2ccccc2C1
InChIInChI=1S/C12H14ClN/c13-6-3-7-14-12-8-10-4-1-2-5-11(10)9-12/h1-6,12,14H,7-9H2/b6-3+
InChIKeyRYQYXWBTCAHIQG-ZZXKWVIFSA-N
MW207.70 g/mol
LogP2.50
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine

N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 103830755) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID103830755
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
SMILESCl/C=C/CNC1Cc2ccccc2C1
InChIInChI=1S/C12H14ClN/c13-6-3-7-14-12-8-10-4-1-2-5-11(10)9-12/h1-6,12,14H,7-9H2/b6-3+
InChIKeyRYQYXWBTCAHIQG-ZZXKWVIFSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
CID 106438223
3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
CID 3030975
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
CID 3030894
N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
3-amino-4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzaldehyde
CID 123246002
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661
[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium
CID 146969644
(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 6926815
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-[(1-propylcyclopropyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103903710
N-(furan-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115711462

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine (CID 103830755) is N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine is Cl/C=C/CNC1Cc2ccccc2C1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is RYQYXWBTCAHIQG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H14ClN/c13-6-3-7-14-12-8-10-4-1-2-5-11(10)9-12/h1-6,12,14H,7-9H2/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 207.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103830755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).