N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine

C13H20N2O — CID 80567671

IUPACN-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine
SMILESCOCCN(C)CC1Cc2ccccc2N1
InChIInChI=1S/C13H20N2O/c1-15(7-8-16-2)10-12-9-11-5-3-4-6-13(11)14-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyMKKXFCMTVTVTJP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.60
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine

N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine (PubChem CID 80567671) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine
PubChem CID80567671
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine
SMILESCOCCN(C)CC1Cc2ccccc2N1
InChIInChI=1S/C13H20N2O/c1-15(7-8-16-2)10-12-9-11-5-3-4-6-13(11)14-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyMKKXFCMTVTVTJP-UHFFFAOYSA-N
XLogP1.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine (CID 80567671) is N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine is COCCN(C)CC1Cc2ccccc2N1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine?
The InChIKey is MKKXFCMTVTVTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(7-8-16-2)10-12-9-11-5-3-4-6-13(11)14-12/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine?
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 80567671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).