1-(3-ethoxypropyl)-6-methylindole

C14H19NO — CID 116546661

IUPAC1-(3-ethoxypropyl)-6-methylindole
SMILESCCOCCCn1ccc2ccc(C)cc21
InChIInChI=1S/C14H19NO/c1-3-16-10-4-8-15-9-7-13-6-5-12(2)11-14(13)15/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyUJZMUPIIZQPCGG-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-ethoxypropyl)-6-methylindole

1-(3-ethoxypropyl)-6-methylindole (PubChem CID 116546661) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-6-methylindole.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-6-methylindole
PubChem CID116546661
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3-ethoxypropyl)-6-methylindole
SMILESCCOCCCn1ccc2ccc(C)cc21
InChIInChI=1S/C14H19NO/c1-3-16-10-4-8-15-9-7-13-6-5-12(2)11-14(13)15/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyUJZMUPIIZQPCGG-UHFFFAOYSA-N
XLogP3.38
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-6-methylindole
CID 116546893
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
1-(2-bromoethyl)-6-methylindole
CID 130577129
1-(2,2-diethoxyethyl)-6-methylindole
CID 55249362
2,2-dimethyl-5-(6-methylindol-1-yl)pentan-1-amine
CID 65253963
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752
2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine
CID 63070295
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
1-(3-methoxypropyl)indol-6-amine
CID 58005499
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-6-methylindole?
The IUPAC name of 1-(3-ethoxypropyl)-6-methylindole (CID 116546661) is 1-(3-ethoxypropyl)-6-methylindole.
What is the SMILES notation for 1-(3-ethoxypropyl)-6-methylindole?
The canonical SMILES for 1-(3-ethoxypropyl)-6-methylindole is CCOCCCn1ccc2ccc(C)cc21.
What is the InChIKey of 1-(3-ethoxypropyl)-6-methylindole?
The InChIKey is UJZMUPIIZQPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-16-10-4-8-15-9-7-13-6-5-12(2)11-14(13)15/h5-7,9,11H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-6-methylindole?
1-(3-ethoxypropyl)-6-methylindole has a molecular weight of 217.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-6-methylindole is sourced from PubChem (CID 116546661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).