3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine

C15H22N2O — CID 98784252

IUPAC3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
SMILESCCOc1ccc2c(c1)c(CCCNC)cn2C
InChIInChI=1S/C15H22N2O/c1-4-18-13-7-8-15-14(10-13)12(11-17(15)3)6-5-9-16-2/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyZGOPRMKNCNOLKF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds6

About 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine

3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine (PubChem CID 98784252) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
PubChem CID98784252
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
SMILESCCOc1ccc2c(c1)c(CCCNC)cn2C
InChIInChI=1S/C15H22N2O/c1-4-18-13-7-8-15-14(10-13)12(11-17(15)3)6-5-9-16-2/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyZGOPRMKNCNOLKF-UHFFFAOYSA-N
XLogP2.73
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
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-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 96674945
1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
CID 82495412
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
CID 83985061
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
CID 57439519
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
CID 96675442
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
4-[3-(5-ethoxy-1-propylindol-3-yl)propyl]morpholine
CID 170871037
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674926
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine (CID 98784252) is 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine is CCOc1ccc2c(c1)c(CCCNC)cn2C.
What is the InChIKey of 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine?
The InChIKey is ZGOPRMKNCNOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-18-13-7-8-15-14(10-13)12(11-17(15)3)6-5-9-16-2/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine?
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 98784252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).