5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine

C17H24BrN — CID 63420530

IUPAC5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC1CCCC(NC2CCc3cc(Br)ccc32)C1C
InChIInChI=1S/C17H24BrN/c1-11-4-3-5-16(12(11)2)19-17-9-6-13-10-14(18)7-8-15(13)17/h7-8,10-12,16-17,19H,3-6,9H2,1-2H3
InChIKeyGMQRKIUTEMMGJJ-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.85
Rot. Bonds2

About 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63420530) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63420530
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC Name5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC1CCCC(NC2CCc3cc(Br)ccc32)C1C
InChIInChI=1S/C17H24BrN/c1-11-4-3-5-16(12(11)2)19-17-9-6-13-10-14(18)7-8-15(13)17/h7-8,10-12,16-17,19H,3-6,9H2,1-2H3
InChIKeyGMQRKIUTEMMGJJ-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (CID 63420530) is 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is CC1CCCC(NC2CCc3cc(Br)ccc32)C1C.
What is the InChIKey of 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GMQRKIUTEMMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c1-11-4-3-5-16(12(11)2)19-17-9-6-13-10-14(18)7-8-15(13)17/h7-8,10-12,16-17,19H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 322.29 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63420530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).