6-methoxy-3-(3-methylpentyl)-1H-indole

C15H21NO — CID 156642145

IUPAC6-methoxy-3-(3-methylpentyl)-1H-indole
SMILESCCC(C)CCc1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C15H21NO/c1-4-11(2)5-6-12-10-16-15-9-13(17-3)7-8-14(12)15/h7-11,16H,4-6H2,1-3H3
InChIKeyGCCHMAWTNLOCRF-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.16
Rot. Bonds5

About 6-methoxy-3-(3-methylpentyl)-1H-indole

6-methoxy-3-(3-methylpentyl)-1H-indole (PubChem CID 156642145) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-methoxy-3-(3-methylpentyl)-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-(3-methylpentyl)-1H-indole
PubChem CID156642145
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-methoxy-3-(3-methylpentyl)-1H-indole
SMILESCCC(C)CCc1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C15H21NO/c1-4-11(2)5-6-12-10-16-15-9-13(17-3)7-8-14(12)15/h7-11,16H,4-6H2,1-3H3
InChIKeyGCCHMAWTNLOCRF-UHFFFAOYSA-N
XLogP4.16
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(3-methylpentyl)-1H-indole?
The IUPAC name of 6-methoxy-3-(3-methylpentyl)-1H-indole (CID 156642145) is 6-methoxy-3-(3-methylpentyl)-1H-indole.
What is the SMILES notation for 6-methoxy-3-(3-methylpentyl)-1H-indole?
The canonical SMILES for 6-methoxy-3-(3-methylpentyl)-1H-indole is CCC(C)CCc1c[nH]c2cc(OC)ccc12.
What is the InChIKey of 6-methoxy-3-(3-methylpentyl)-1H-indole?
The InChIKey is GCCHMAWTNLOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11(2)5-6-12-10-16-15-9-13(17-3)7-8-14(12)15/h7-11,16H,4-6H2,1-3H3.
What are the key properties of 6-methoxy-3-(3-methylpentyl)-1H-indole?
6-methoxy-3-(3-methylpentyl)-1H-indole has a molecular weight of 231.34 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(3-methylpentyl)-1H-indole is sourced from PubChem (CID 156642145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).