1-(3-methoxypropyl)-4-methylindole

C13H17NO — CID 116620203

IUPAC1-(3-methoxypropyl)-4-methylindole
SMILESCOCCCn1ccc2c(C)cccc21
InChIInChI=1S/C13H17NO/c1-11-5-3-6-13-12(11)7-9-14(13)8-4-10-15-2/h3,5-7,9H,4,8,10H2,1-2H3
InChIKeyNHPNFZWHJXZLGH-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.99
Rot. Bonds4

About 1-(3-methoxypropyl)-4-methylindole

1-(3-methoxypropyl)-4-methylindole (PubChem CID 116620203) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methylindole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methylindole
PubChem CID116620203
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3-methoxypropyl)-4-methylindole
SMILESCOCCCn1ccc2c(C)cccc21
InChIInChI=1S/C13H17NO/c1-11-5-3-6-13-12(11)7-9-14(13)8-4-10-15-2/h3,5-7,9H,4,8,10H2,1-2H3
InChIKeyNHPNFZWHJXZLGH-UHFFFAOYSA-N
XLogP2.99
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.99
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

4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
CID 107919185
4-[3-(4-methylindol-1-yl)propyl]morpholine
CID 58748400
5-(4-methylindol-1-yl)pentanehydrazide
CID 55214450
2-methyl-4-(4-methylindol-1-yl)butan-2-ol
CID 116620378
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
3-[2-(4-methylindol-1-yl)ethoxy]aniline
CID 43365841
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
trifluoro-[(4-methylindol-1-yl)methyl]boranuide
CID 63703617
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
CID 104562950

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methylindole?
The IUPAC name of 1-(3-methoxypropyl)-4-methylindole (CID 116620203) is 1-(3-methoxypropyl)-4-methylindole.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methylindole?
The canonical SMILES for 1-(3-methoxypropyl)-4-methylindole is COCCCn1ccc2c(C)cccc21.
What is the InChIKey of 1-(3-methoxypropyl)-4-methylindole?
The InChIKey is NHPNFZWHJXZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-5-3-6-13-12(11)7-9-14(13)8-4-10-15-2/h3,5-7,9H,4,8,10H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-4-methylindole?
1-(3-methoxypropyl)-4-methylindole has a molecular weight of 203.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methylindole is sourced from PubChem (CID 116620203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).