3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine

C14H20N2O — CID 84627056

IUPAC3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1ccc2[nH]cc(C(C)(C)CCN)c2c1
InChIInChI=1S/C14H20N2O/c1-14(2,6-7-15)12-9-16-13-5-4-10(17-3)8-11(12)13/h4-5,8-9,16H,6-7,15H2,1-3H3
InChIKeyPMMJGVFAOOJXEG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds4

About 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine

3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 84627056) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID84627056
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1ccc2[nH]cc(C(C)(C)CCN)c2c1
InChIInChI=1S/C14H20N2O/c1-14(2,6-7-15)12-9-16-13-5-4-10(17-3)8-11(12)13/h4-5,8-9,16H,6-7,15H2,1-3H3
InChIKeyPMMJGVFAOOJXEG-UHFFFAOYSA-N
XLogP2.80
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
CID 73424996
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84632477
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
CID 11076269
2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
CID 13089119
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
CID 113084371
2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82497725

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine (CID 84627056) is 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine is COc1ccc2[nH]cc(C(C)(C)CCN)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is PMMJGVFAOOJXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,6-7-15)12-9-16-13-5-4-10(17-3)8-11(12)13/h4-5,8-9,16H,6-7,15H2,1-3H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine?
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 84627056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).