5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine

C17H24ClN — CID 115349079

IUPAC5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCC1CCC(NC2Cc3ccc(Cl)cc3C2)C1C
InChIInChI=1S/C17H24ClN/c1-3-12-5-7-17(11(12)2)19-16-9-13-4-6-15(18)8-14(13)10-16/h4,6,8,11-12,16-17,19H,3,5,7,9-10H2,1-2H3
InChIKeyXFLCSXKZMPLZFQ-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.22
Rot. Bonds3

About 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115349079) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115349079
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCC1CCC(NC2Cc3ccc(Cl)cc3C2)C1C
InChIInChI=1S/C17H24ClN/c1-3-12-5-7-17(11(12)2)19-16-9-13-4-6-15(18)8-14(13)10-16/h4,6,8,11-12,16-17,19H,3,5,7,9-10H2,1-2H3
InChIKeyXFLCSXKZMPLZFQ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine (CID 115349079) is 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine is CCC1CCC(NC2Cc3ccc(Cl)cc3C2)C1C.
What is the InChIKey of 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XFLCSXKZMPLZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-3-12-5-7-17(11(12)2)19-16-9-13-4-6-15(18)8-14(13)10-16/h4,6,8,11-12,16-17,19H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 277.84 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115349079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).