4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C12H16ClNO2 — CID 63631151

IUPAC4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c1cc(OC)c(OC)c2Cl
InChIInChI=1S/C12H16ClNO2/c1-14-9-5-4-7-8(9)6-10(15-2)12(16-3)11(7)13/h6,9,14H,4-5H2,1-3H3
InChIKeySEDCYASUDMKVBI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.56
Rot. Bonds3

About 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63631151) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63631151
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c1cc(OC)c(OC)c2Cl
InChIInChI=1S/C12H16ClNO2/c1-14-9-5-4-7-8(9)6-10(15-2)12(16-3)11(7)13/h6,9,14H,4-5H2,1-3H3
InChIKeySEDCYASUDMKVBI-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 63631151) is 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c1cc(OC)c(OC)c2Cl.
What is the InChIKey of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SEDCYASUDMKVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14-9-5-4-7-8(9)6-10(15-2)12(16-3)11(7)13/h6,9,14H,4-5H2,1-3H3.
What are the key properties of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63631151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).