3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C16H17BrClN — CID 45260295

IUPAC3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Br)cc2)c2ccccc21.Cl
InChIInChI=1S/C16H16BrN.ClH/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H
InChIKeyZGCDBBPLYVELNO-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.67
Rot. Bonds2

About 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260295) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260295
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Br)cc2)c2ccccc21.Cl
InChIInChI=1S/C16H16BrN.ClH/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H
InChIKeyZGCDBBPLYVELNO-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260295) is 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CNC1CC(c2ccc(Br)cc2)c2ccccc21.Cl.
What is the InChIKey of 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is ZGCDBBPLYVELNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN.ClH/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H.
What are the key properties of 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 338.68 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).