[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine

C18H28N2O — CID 133214787

IUPAC[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine
SMILESCCC(C)Oc1ccc2c(c1)c(CN)c(C)n2CC(C)C
InChIInChI=1S/C18H28N2O/c1-6-13(4)21-15-7-8-18-16(9-15)17(10-19)14(5)20(18)11-12(2)3/h7-9,12-13H,6,10-11,19H2,1-5H3
InChIKeyDWQAAFYVKULGJS-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.24
Rot. Bonds6

About [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine

[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine (PubChem CID 133214787) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine
PubChem CID133214787
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine
SMILESCCC(C)Oc1ccc2c(c1)c(CN)c(C)n2CC(C)C
InChIInChI=1S/C18H28N2O/c1-6-13(4)21-15-7-8-18-16(9-15)17(10-19)14(5)20(18)11-12(2)3/h7-9,12-13H,6,10-11,19H2,1-5H3
InChIKeyDWQAAFYVKULGJS-UHFFFAOYSA-N
XLogP4.24
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine with MolForge

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Related Compounds

(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine
CID 133202870
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
2-methyl-1-(2-methylpropyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991379
4-butan-2-yloxyaniline
CID 13097722
1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82268944
[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850935
ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate
CID 99990884
3-[3-(aminomethyl)-1-benzyl-2-methylindol-5-yl]oxypropoxy-hydroxy-oxophosphanium
CID 173270913

Frequently Asked Questions

What is the IUPAC name of [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine?
The IUPAC name of [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine (CID 133214787) is [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine.
What is the SMILES notation for [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine?
The canonical SMILES for [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine is CCC(C)Oc1ccc2c(c1)c(CN)c(C)n2CC(C)C.
What is the InChIKey of [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine?
The InChIKey is DWQAAFYVKULGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-13(4)21-15-7-8-18-16(9-15)17(10-19)14(5)20(18)11-12(2)3/h7-9,12-13H,6,10-11,19H2,1-5H3.
What are the key properties of [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine?
[5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butan-2-yloxy-2-methyl-1-(2-methylpropyl)indol-3-yl]methanamine is sourced from PubChem (CID 133214787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).