2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine

C17H26N2O2 — CID 104649955

IUPAC2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
SMILESCOCCCCn1ccc2cc(CNCCOC)ccc21
InChIInChI=1S/C17H26N2O2/c1-20-11-4-3-9-19-10-7-16-13-15(5-6-17(16)19)14-18-8-12-21-2/h5-7,10,13,18H,3-4,8-9,11-12,14H2,1-2H3
InChIKeyCBKIDUIDFVLGIL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.80
Rot. Bonds10

About 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine

2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine (PubChem CID 104649955) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
PubChem CID104649955
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
SMILESCOCCCCn1ccc2cc(CNCCOC)ccc21
InChIInChI=1S/C17H26N2O2/c1-20-11-4-3-9-19-10-7-16-13-15(5-6-17(16)19)14-18-8-12-21-2/h5-7,10,13,18H,3-4,8-9,11-12,14H2,1-2H3
InChIKeyCBKIDUIDFVLGIL-UHFFFAOYSA-N
XLogP2.80
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657
4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 63879552
3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 63850949
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102917022
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
CID 103411232
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine (CID 104649955) is 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine is COCCCCn1ccc2cc(CNCCOC)ccc21.
What is the InChIKey of 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine?
The InChIKey is CBKIDUIDFVLGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-11-4-3-9-19-10-7-16-13-15(5-6-17(16)19)14-18-8-12-21-2/h5-7,10,13,18H,3-4,8-9,11-12,14H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104649955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).