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

C10H12ClN — CID 54776023

IUPAC6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3
InChIKeyMDCGEWCRGNLLKV-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.55
Rot. Bonds1

About 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 54776023) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID54776023
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3
InChIKeyMDCGEWCRGNLLKV-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 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 54776023) is 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MDCGEWCRGNLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3.
What are the key properties of 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine?
6-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 6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 54776023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).