4-(3-methylbutoxy)-1H-indole

C13H17NO — CID 141124794

IUPAC4-(3-methylbutoxy)-1H-indole
SMILESCC(C)CCOc1cccc2[nH]ccc12
InChIInChI=1S/C13H17NO/c1-10(2)7-9-15-13-5-3-4-12-11(13)6-8-14-12/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyUWDDQXLABFHOLJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.59
Rot. Bonds4

About 4-(3-methylbutoxy)-1H-indole

4-(3-methylbutoxy)-1H-indole (PubChem CID 141124794) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-1H-indole.

Molecular Properties

Compound Name4-(3-methylbutoxy)-1H-indole
PubChem CID141124794
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(3-methylbutoxy)-1H-indole
SMILESCC(C)CCOc1cccc2[nH]ccc12
InChIInChI=1S/C13H17NO/c1-10(2)7-9-15-13-5-3-4-12-11(13)6-8-14-12/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyUWDDQXLABFHOLJ-UHFFFAOYSA-N
XLogP3.59
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-methylbutoxy)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 12898199
1-(4-methylpentoxy)naphthalene
CID 83168126
1-(chloromethyl)-3-ethoxy-2-(3-methylbutoxy)benzene
CID 43366787
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069
2-(3-methylbutoxy)-1-prop-2-enyl-3-propoxybenzene
CID 24770494
6-[3-(1H-indol-4-yloxy)propoxy]-2-methylquinoline
CID 68894802
3-chloro-2-(1H-indol-4-yloxy)propan-1-ol
CID 10443669

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-1H-indole?
The IUPAC name of 4-(3-methylbutoxy)-1H-indole (CID 141124794) is 4-(3-methylbutoxy)-1H-indole.
What is the SMILES notation for 4-(3-methylbutoxy)-1H-indole?
The canonical SMILES for 4-(3-methylbutoxy)-1H-indole is CC(C)CCOc1cccc2[nH]ccc12.
What is the InChIKey of 4-(3-methylbutoxy)-1H-indole?
The InChIKey is UWDDQXLABFHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)7-9-15-13-5-3-4-12-11(13)6-8-14-12/h3-6,8,10,14H,7,9H2,1-2H3.
What are the key properties of 4-(3-methylbutoxy)-1H-indole?
4-(3-methylbutoxy)-1H-indole has a molecular weight of 203.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-1H-indole is sourced from PubChem (CID 141124794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).