4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine

C14H20N2O — CID 117336849

IUPAC4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine
SMILESCOc1cc2cc(C)[nH]c2cc1CCCCN
InChIInChI=1S/C14H20N2O/c1-10-7-12-9-14(17-2)11(5-3-4-6-15)8-13(12)16-10/h7-9,16H,3-6,15H2,1-2H3
InChIKeyOKUFYPHWBHQFET-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds5

About 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine

4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine (PubChem CID 117336849) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine
PubChem CID117336849
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine
SMILESCOc1cc2cc(C)[nH]c2cc1CCCCN
InChIInChI=1S/C14H20N2O/c1-10-7-12-9-14(17-2)11(5-3-4-6-15)8-13(12)16-10/h7-9,16H,3-6,15H2,1-2H3
InChIKeyOKUFYPHWBHQFET-UHFFFAOYSA-N
XLogP2.77
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
2-(5-methoxy-2-methyl-1H-indol-6-yl)-2-methylpropan-1-ol
CID 117338548
[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117436417
5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
CID 144996572
4-(2,5-dichloro-3-methoxyphenyl)butan-1-amine
CID 117372775

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine?
The IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine (CID 117336849) is 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine?
The canonical SMILES for 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine is COc1cc2cc(C)[nH]c2cc1CCCCN.
What is the InChIKey of 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine?
The InChIKey is OKUFYPHWBHQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-7-12-9-14(17-2)11(5-3-4-6-15)8-13(12)16-10/h7-9,16H,3-6,15H2,1-2H3.
What are the key properties of 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine?
4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine is sourced from PubChem (CID 117336849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).