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

C14H22N2O — CID 117202519

IUPAC3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CN(C)c2ccc(OC)cc21
InChIInChI=1S/C14H22N2O/c1-15-8-4-5-11-10-16(2)14-7-6-12(17-3)9-13(11)14/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeyNBCOOKBFNNMVHH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds5

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

3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine (PubChem CID 117202519) 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-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
PubChem CID117202519
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CN(C)c2ccc(OC)cc21
InChIInChI=1S/C14H22N2O/c1-15-8-4-5-11-10-16(2)14-7-6-12(17-3)9-13(11)14/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeyNBCOOKBFNNMVHH-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
5-methoxy-1,3-dipropyl-2,3-dihydroindole
CID 83960216
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
5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole
CID 82023787
2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
CID 84632926
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747
7-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833452
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine (CID 117202519) is 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine is CNCCCC1CN(C)c2ccc(OC)cc21.
What is the InChIKey of 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The InChIKey is NBCOOKBFNNMVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-4-5-11-10-16(2)14-7-6-12(17-3)9-13(11)14/h6-7,9,11,15H,4-5,8,10H2,1-3H3.
What are the key properties of 3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.23, 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-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117202519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).