3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H15Cl2N — CID 3703

IUPAC3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
InChIKeySVFXPTLYMIXFRX-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.79
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 3703) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID3703
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
InChIKeySVFXPTLYMIXFRX-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 3703) is 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SVFXPTLYMIXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 292.21 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 3703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).