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

C15H24N2O — CID 117202601

IUPAC2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCNCCC1CN(C(C)C)c2ccc(OC)cc21
InChIInChI=1S/C15H24N2O/c1-11(2)17-10-12(7-8-16-3)14-9-13(18-4)5-6-15(14)17/h5-6,9,11-12,16H,7-8,10H2,1-4H3
InChIKeyFETOGZYUQKRWQV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds5

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

2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine (PubChem CID 117202601) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
PubChem CID117202601
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCNCCC1CN(C(C)C)c2ccc(OC)cc21
InChIInChI=1S/C15H24N2O/c1-11(2)17-10-12(7-8-16-3)14-9-13(18-4)5-6-15(14)17/h5-6,9,11-12,16H,7-8,10H2,1-4H3
InChIKeyFETOGZYUQKRWQV-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
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

2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 169244252
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572
1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol
CID 117202563
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
5-methoxy-1,3-dipropyl-2,3-dihydroindole
CID 83960216
2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
CID 84632926
3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117200521
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine (CID 117202601) is 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine is CNCCC1CN(C(C)C)c2ccc(OC)cc21.
What is the InChIKey of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The InChIKey is FETOGZYUQKRWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-10-12(7-8-16-3)14-9-13(18-4)5-6-15(14)17/h5-6,9,11-12,16H,7-8,10H2,1-4H3.
What are the key properties of 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine?
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117202601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).