2-[1-(3-methoxypropyl)indol-5-yl]ethanamine

C14H20N2O — CID 102917406

IUPAC2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
SMILESCOCCCn1ccc2cc(CCN)ccc21
InChIInChI=1S/C14H20N2O/c1-17-10-2-8-16-9-6-13-11-12(5-7-15)3-4-14(13)16/h3-4,6,9,11H,2,5,7-8,10,15H2,1H3
InChIKeyVLJFVZNQCOHMQQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.18
Rot. Bonds6

About 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine

2-[1-(3-methoxypropyl)indol-5-yl]ethanamine (PubChem CID 102917406) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
PubChem CID102917406
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
SMILESCOCCCn1ccc2cc(CCN)ccc21
InChIInChI=1S/C14H20N2O/c1-17-10-2-8-16-9-6-13-11-12(5-7-15)3-4-14(13)16/h3-4,6,9,11H,2,5,7-8,10,15H2,1H3
InChIKeyVLJFVZNQCOHMQQ-UHFFFAOYSA-N
XLogP2.18
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.18
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

[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
CID 103411232
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
1-(3-methoxypropyl)indol-6-amine
CID 58005499
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
2-[[5-(3-methoxypropyl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 174503664
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
1-(2-methoxyethyl)-5-methylindole
CID 116622979
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
1-(2-methoxyethyl)indol-5-ol
CID 138679498
4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 63879552

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine?
The IUPAC name of 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine (CID 102917406) is 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine is COCCCn1ccc2cc(CCN)ccc21.
What is the InChIKey of 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine?
The InChIKey is VLJFVZNQCOHMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-10-2-8-16-9-6-13-11-12(5-7-15)3-4-14(13)16/h3-4,6,9,11H,2,5,7-8,10,15H2,1H3.
What are the key properties of 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine?
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)indol-5-yl]ethanamine is sourced from PubChem (CID 102917406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).