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

C14H22N2O — CID 117201453

IUPAC3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1Cc2cc(OC)ccc2N1C
InChIInChI=1S/C14H22N2O/c1-15-8-4-5-12-9-11-10-13(17-3)6-7-14(11)16(12)2/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyINCDKYJDWGQLFI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds5

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

3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (PubChem CID 117201453) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
PubChem CID117201453
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1Cc2cc(OC)ccc2N1C
InChIInChI=1S/C14H22N2O/c1-15-8-4-5-12-9-11-10-13(17-3)6-7-14(11)16(12)2/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyINCDKYJDWGQLFI-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
CID 117201471
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
6-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833453
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine
CID 117198098
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
1-[(2R)-2-butyl-6-methoxy-2,3-dihydroindol-1-yl]ethanone
CID 15445699

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (CID 117201453) is 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is CNCCCC1Cc2cc(OC)ccc2N1C.
What is the InChIKey of 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The InChIKey is INCDKYJDWGQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-4-5-12-9-11-10-13(17-3)6-7-14(11)16(12)2/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117201453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).