2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine

C12H16ClN — CID 117299692

IUPAC2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine
SMILESCC(C)(N)c1cc(Cl)cc2c1CCC2
InChIInChI=1S/C12H16ClN/c1-12(2,14)11-7-9(13)6-8-4-3-5-10(8)11/h6-7H,3-5,14H2,1-2H3
InChIKeyKBNBOYCQXIUSLB-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.02
Rot. Bonds1

About 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine

2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine (PubChem CID 117299692) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine
PubChem CID117299692
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine
SMILESCC(C)(N)c1cc(Cl)cc2c1CCC2
InChIInChI=1S/C12H16ClN/c1-12(2,14)11-7-9(13)6-8-4-3-5-10(8)11/h6-7H,3-5,14H2,1-2H3
InChIKeyKBNBOYCQXIUSLB-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine (CID 117299692) is 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine is CC(C)(N)c1cc(Cl)cc2c1CCC2.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
The InChIKey is KBNBOYCQXIUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-12(2,14)11-7-9(13)6-8-4-3-5-10(8)11/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine has a molecular weight of 209.72 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1H-inden-4-yl)propan-2-amine is sourced from PubChem (CID 117299692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).