1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine

C15H22N2O — CID 65178006

IUPAC1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
SMILESCCOCCCn1ccc2cc(CNC)ccc21
InChIInChI=1S/C15H22N2O/c1-3-18-10-4-8-17-9-7-14-11-13(12-16-2)5-6-15(14)17/h5-7,9,11,16H,3-4,8,10,12H2,1-2H3
InChIKeyQERDPCUXNVXCLE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds7

About 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine

1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine (PubChem CID 65178006) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
PubChem CID65178006
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
SMILESCCOCCCn1ccc2cc(CNC)ccc21
InChIInChI=1S/C15H22N2O/c1-3-18-10-4-8-17-9-7-14-11-13(12-16-2)5-6-15(14)17/h5-7,9,11,16H,3-4,8,10,12H2,1-2H3
InChIKeyQERDPCUXNVXCLE-UHFFFAOYSA-N
XLogP2.79
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
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

N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
CID 107010388
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
CID 103411232
1-(3-ethoxypropyl)-6-methylindole
CID 116546661
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine (CID 65178006) is 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine is CCOCCCn1ccc2cc(CNC)ccc21.
What is the InChIKey of 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine?
The InChIKey is QERDPCUXNVXCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-18-10-4-8-17-9-7-14-11-13(12-16-2)5-6-15(14)17/h5-7,9,11,16H,3-4,8,10,12H2,1-2H3.
What are the key properties of 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine?
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65178006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).