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

C16H26N2O — CID 117200521

IUPAC3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CN(C(C)C)c2cccc(OC)c21
InChIInChI=1S/C16H26N2O/c1-12(2)18-11-13(7-6-10-17-3)16-14(18)8-5-9-15(16)19-4/h5,8-9,12-13,17H,6-7,10-11H2,1-4H3
InChIKeySCSSKSYGJQEEIX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds6

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

3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine (PubChem CID 117200521) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
PubChem CID117200521
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CN(C(C)C)c2cccc(OC)c21
InChIInChI=1S/C16H26N2O/c1-12(2)18-11-13(7-6-10-17-3)16-14(18)8-5-9-15(16)19-4/h5,8-9,12-13,17H,6-7,10-11H2,1-4H3
InChIKeySCSSKSYGJQEEIX-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
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

2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106432
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
CID 117200379
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-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 117200321
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 169244381
2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
CID 117199630
2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200532

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine (CID 117200521) is 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine is CNCCCC1CN(C(C)C)c2cccc(OC)c21.
What is the InChIKey of 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The InChIKey is SCSSKSYGJQEEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)18-11-13(7-6-10-17-3)16-14(18)8-5-9-15(16)19-4/h5,8-9,12-13,17H,6-7,10-11H2,1-4H3.
What are the key properties of 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117200521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).