3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine

C15H24N2O — CID 117199191

IUPAC3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCCN1c2cccc(OC)c2CC1CCCNC
InChIInChI=1S/C15H24N2O/c1-4-17-12(7-6-10-16-2)11-13-14(17)8-5-9-15(13)18-3/h5,8-9,12,16H,4,6-7,10-11H2,1-3H3
InChIKeyGHTNDRJLSRUXQT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds6

About 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine

3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (PubChem CID 117199191) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
PubChem CID117199191
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCCN1c2cccc(OC)c2CC1CCCNC
InChIInChI=1S/C15H24N2O/c1-4-17-12(7-6-10-16-2)11-13-14(17)8-5-9-15(13)18-3/h5,8-9,12,16H,4,6-7,10-11H2,1-3H3
InChIKeyGHTNDRJLSRUXQT-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199152
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117200521
1-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117199169
3-[(3S)-6-fluoro-2,2-dihydroxy-1-(2-methoxyphenyl)-3,4-dihydro-2λ4,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 69259618
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (CID 117199191) is 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is CCN1c2cccc(OC)c2CC1CCCNC.
What is the InChIKey of 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The InChIKey is GHTNDRJLSRUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17-12(7-6-10-16-2)11-13-14(17)8-5-9-15(13)18-3/h5,8-9,12,16H,4,6-7,10-11H2,1-3H3.
What are the key properties of 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117199191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).