5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

C10H12ClN — CID 53438981

IUPAC5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C10H12ClN/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3
InChIKeyAPDDSOKAUAEGIG-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.55
Rot. Bonds1

About 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 53438981) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID53438981
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C10H12ClN/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3
InChIKeyAPDDSOKAUAEGIG-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 53438981) is 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is APDDSOKAUAEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5H2,1H3.
What are the key properties of 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 53438981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).