2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine

C13H20N2O — CID 117201446

IUPAC2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
SMILESCNCCC1Cc2cc(OC)ccc2N1C
InChIInChI=1S/C13H20N2O/c1-14-7-6-11-8-10-9-12(16-3)4-5-13(10)15(11)2/h4-5,9,11,14H,6-8H2,1-3H3
InChIKeyTVQPPYSWFNHPCZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds4

About 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine

2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine (PubChem CID 117201446) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
PubChem CID117201446
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
SMILESCNCCC1Cc2cc(OC)ccc2N1C
InChIInChI=1S/C13H20N2O/c1-14-7-6-11-8-10-9-12(16-3)4-5-13(10)15(11)2/h4-5,9,11,14H,6-8H2,1-3H3
InChIKeyTVQPPYSWFNHPCZ-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
6-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833453
2-(6-methoxy-1,8-dimethyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
CID 84633230
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
CID 117201497
1-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)-N-methylmethanamine
CID 83860788
N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 146027454
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201525

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine (CID 117201446) is 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine is CNCCC1Cc2cc(OC)ccc2N1C.
What is the InChIKey of 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
The InChIKey is TVQPPYSWFNHPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-7-6-11-8-10-9-12(16-3)4-5-13(10)15(11)2/h4-5,9,11,14H,6-8H2,1-3H3.
What are the key properties of 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine?
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 117201446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).