N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

C17H16Cl3N — CID 107849898

IUPACN-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(NC1Cc2ccccc2C1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N/c1-10(14-6-7-15(18)17(20)16(14)19)21-13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13,21H,8-9H2,1H3
InChIKeyXXSJBCRARQDPKY-UHFFFAOYSA-N
MW340.68 g/mol
LogP5.46
Rot. Bonds3

About N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107849898) has the molecular formula C17H16Cl3N and a molecular weight of 340.68 g/mol. Its IUPAC name is N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107849898
Molecular FormulaC17H16Cl3N
Molecular Weight340.68 g/mol
Exact Mass339.03
IUPAC NameN-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(NC1Cc2ccccc2C1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N/c1-10(14-6-7-15(18)17(20)16(14)19)21-13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13,21H,8-9H2,1H3
InChIKeyXXSJBCRARQDPKY-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.68
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,3,4-trichlorophenyl)ethyl]oxan-4-amine
CID 43778517
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850002
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
N-[1-(2-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 103779625
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43763076
1-(2,3,4-trichlorophenyl)ethylhydrazine
CID 53402187
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211
N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81363776
(1S)-1-cycloheptyl-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 81391570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 107849898) is N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is CC(NC1Cc2ccccc2C1)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XXSJBCRARQDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N/c1-10(14-6-7-15(18)17(20)16(14)19)21-13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13,21H,8-9H2,1H3.
What are the key properties of N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 340.68 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107849898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).