3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine

C14H20N2O — CID 117197959

IUPAC3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2cccc(OC)c21
InChIInChI=1S/C14H20N2O/c1-3-16-10-11(6-5-9-15)12-7-4-8-13(17-2)14(12)16/h4,7-8,10H,3,5-6,9,15H2,1-2H3
InChIKeyJYULAVMOACMUON-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.56
Rot. Bonds5

About 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine

3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine (PubChem CID 117197959) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
PubChem CID117197959
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
SMILESCCn1cc(CCCN)c2cccc(OC)c21
InChIInChI=1S/C14H20N2O/c1-3-16-10-11(6-5-9-15)12-7-4-8-13(17-2)14(12)16/h4,7-8,10H,3,5-6,9,15H2,1-2H3
InChIKeyJYULAVMOACMUON-UHFFFAOYSA-N
XLogP2.56
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine
CID 117197951
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
3-ethyl-7-methoxy-1-(3-methoxypropyl)indole
CID 59494067
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
CID 83967143
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
1-(1-ethyl-7-methoxyindol-3-yl)ethanol
CID 117197918
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine (CID 117197959) is 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine is CCn1cc(CCCN)c2cccc(OC)c21.
What is the InChIKey of 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine?
The InChIKey is JYULAVMOACMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16-10-11(6-5-9-15)12-7-4-8-13(17-2)14(12)16/h4,7-8,10H,3,5-6,9,15H2,1-2H3.
What are the key properties of 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine?
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine is sourced from PubChem (CID 117197959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).