N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine

C14H20N2O — CID 96673433

IUPACN-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
SMILESCCNCCc1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C14H20N2O/c1-4-15-8-7-11-10-16(2)14-6-5-12(17-3)9-13(11)14/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyPBVPVNCZMARCBR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine

N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine (PubChem CID 96673433) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
PubChem CID96673433
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
SMILESCCNCCc1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C14H20N2O/c1-4-15-8-7-11-10-16(2)14-6-5-12(17-3)9-13(11)14/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyPBVPVNCZMARCBR-UHFFFAOYSA-N
XLogP2.34
TPSA26.19 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 ≤ 52.34
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-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
CID 96674946
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
N-ethyl-2-(6-fluoro-1-methylindol-3-yl)ethanamine
CID 82494111
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675794
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
3-bromo-5-methoxy-1-methylindole
CID 67003649
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine (CID 96673433) is N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine is CCNCCc1cn(C)c2ccc(OC)cc12.
What is the InChIKey of N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine?
The InChIKey is PBVPVNCZMARCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-15-8-7-11-10-16(2)14-6-5-12(17-3)9-13(11)14/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine?
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 96673433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).