1-methyl-3-(2-propoxyethyl)indole

C14H18NO+ — CID 134948573

IUPAC1-methyl-3-(2-propoxyethyl)indole
SMILESCC[CH+]OCCc1cn(C)c2ccccc12
InChIInChI=1S/C14H18NO/c1-3-9-16-10-8-12-11-15(2)14-7-5-4-6-13(12)14/h4-7,9,11H,3,8,10H2,1-2H3/q+1
InChIKeyMBJJRKXGARBDDA-UHFFFAOYSA-N
MW216.30 g/mol
LogP3.31
Rot. Bonds5

About 1-methyl-3-(2-propoxyethyl)indole

1-methyl-3-(2-propoxyethyl)indole (PubChem CID 134948573) has the molecular formula C14H18NO+ and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-methyl-3-(2-propoxyethyl)indole.

Molecular Properties

Compound Name1-methyl-3-(2-propoxyethyl)indole
PubChem CID134948573
Molecular FormulaC14H18NO+
Molecular Weight216.30 g/mol
Exact Mass216.14
IUPAC Name1-methyl-3-(2-propoxyethyl)indole
SMILESCC[CH+]OCCc1cn(C)c2ccccc12
InChIInChI=1S/C14H18NO/c1-3-9-16-10-8-12-11-15(2)14-7-5-4-6-13(12)14/h4-7,9,11H,3,8,10H2,1-2H3/q+1
InChIKeyMBJJRKXGARBDDA-UHFFFAOYSA-N
XLogP3.31
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tryptophol
CID 10685
1-Methylindole
CID 11781
7-Ethyltryptophol
CID 198231
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
N-methoxyindole-3-carbinol
CID 398553
1-methyl-N,N-dimethyltryptamine
CID 25927
(2-Indol-1-yl-ethyl)-dimethyl-amine
CID 15893127
(3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one
CID 736407
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
N,N-Diethyl-1H-indole-1-ethanamine
CID 51575

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propoxyethyl)indole?
The IUPAC name of 1-methyl-3-(2-propoxyethyl)indole (CID 134948573) is 1-methyl-3-(2-propoxyethyl)indole.
What is the SMILES notation for 1-methyl-3-(2-propoxyethyl)indole?
The canonical SMILES for 1-methyl-3-(2-propoxyethyl)indole is CC[CH+]OCCc1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-(2-propoxyethyl)indole?
The InChIKey is MBJJRKXGARBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO/c1-3-9-16-10-8-12-11-15(2)14-7-5-4-6-13(12)14/h4-7,9,11H,3,8,10H2,1-2H3/q+1.
What are the key properties of 1-methyl-3-(2-propoxyethyl)indole?
1-methyl-3-(2-propoxyethyl)indole has a molecular weight of 216.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propoxyethyl)indole is sourced from PubChem (CID 134948573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).