2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine

C11H15ClN2 — CID 117199967

IUPAC2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCC1CNc2cccc(Cl)c21
InChIInChI=1S/C11H15ClN2/c1-13-6-5-8-7-14-10-4-2-3-9(12)11(8)10/h2-4,8,13-14H,5-7H2,1H3
InChIKeyLXCANFZLIVMOAU-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine

2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine (PubChem CID 117199967) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
PubChem CID117199967
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCC1CNc2cccc(Cl)c21
InChIInChI=1S/C11H15ClN2/c1-13-6-5-8-7-14-10-4-2-3-9(12)11(8)10/h2-4,8,13-14H,5-7H2,1H3
InChIKeyLXCANFZLIVMOAU-UHFFFAOYSA-N
XLogP2.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine (CID 117199967) is 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine is CNCCC1CNc2cccc(Cl)c21.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is LXCANFZLIVMOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-13-6-5-8-7-14-10-4-2-3-9(12)11(8)10/h2-4,8,13-14H,5-7H2,1H3.
What are the key properties of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine?
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 210.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117199967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).