3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine

C14H21N3O — CID 83948673

IUPAC3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
SMILESCOc1ccc2c(CCN)cn(CCCN)c2c1
InChIInChI=1S/C14H21N3O/c1-18-12-3-4-13-11(5-7-16)10-17(8-2-6-15)14(13)9-12/h3-4,9-10H,2,5-8,15-16H2,1H3
InChIKeyZFCGVCZIOSFCMK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds6

About 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine

3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine (PubChem CID 83948673) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
PubChem CID83948673
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
SMILESCOc1ccc2c(CCN)cn(CCCN)c2c1
InChIInChI=1S/C14H21N3O/c1-18-12-3-4-13-11(5-7-16)10-17(8-2-6-15)14(13)9-12/h3-4,9-10H,2,5-8,15-16H2,1H3
InChIKeyZFCGVCZIOSFCMK-UHFFFAOYSA-N
XLogP1.50
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911476
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
CID 83948758

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine (CID 83948673) is 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine is COc1ccc2c(CCN)cn(CCCN)c2c1.
What is the InChIKey of 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine?
The InChIKey is ZFCGVCZIOSFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-12-3-4-13-11(5-7-16)10-17(8-2-6-15)14(13)9-12/h3-4,9-10H,2,5-8,15-16H2,1H3.
What are the key properties of 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine?
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine is sourced from PubChem (CID 83948673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).