3-(3-methoxypropyl)-5-methyl-1H-indole

C13H17NO — CID 66596207

IUPAC3-(3-methoxypropyl)-5-methyl-1H-indole
SMILESCOCCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C13H17NO/c1-10-5-6-13-12(8-10)11(9-14-13)4-3-7-15-2/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyBPJCVJKJCBXTLQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.06
Rot. Bonds4

About 3-(3-methoxypropyl)-5-methyl-1H-indole

3-(3-methoxypropyl)-5-methyl-1H-indole (PubChem CID 66596207) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-5-methyl-1H-indole.

Molecular Properties

Compound Name3-(3-methoxypropyl)-5-methyl-1H-indole
PubChem CID66596207
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(3-methoxypropyl)-5-methyl-1H-indole
SMILESCOCCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C13H17NO/c1-10-5-6-13-12(8-10)11(9-14-13)4-3-7-15-2/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyBPJCVJKJCBXTLQ-UHFFFAOYSA-N
XLogP3.06
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1H-indol-3-yl)ethyl formate
CID 174764369
2-(5-methyl-1H-indol-3-yl)ethyl methanesulfonate
CID 86602334
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
CID 139258716
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one
CID 71127731

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-5-methyl-1H-indole?
The IUPAC name of 3-(3-methoxypropyl)-5-methyl-1H-indole (CID 66596207) is 3-(3-methoxypropyl)-5-methyl-1H-indole.
What is the SMILES notation for 3-(3-methoxypropyl)-5-methyl-1H-indole?
The canonical SMILES for 3-(3-methoxypropyl)-5-methyl-1H-indole is COCCCc1c[nH]c2ccc(C)cc12.
What is the InChIKey of 3-(3-methoxypropyl)-5-methyl-1H-indole?
The InChIKey is BPJCVJKJCBXTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-5-6-13-12(8-10)11(9-14-13)4-3-7-15-2/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-5-methyl-1H-indole?
3-(3-methoxypropyl)-5-methyl-1H-indole has a molecular weight of 203.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-5-methyl-1H-indole is sourced from PubChem (CID 66596207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).