2-tert-butyl-1-(methoxymethyl)indole

C14H19NO — CID 25156356

IUPAC2-tert-butyl-1-(methoxymethyl)indole
SMILESCOCn1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C14H19NO/c1-14(2,3)13-9-11-7-5-6-8-12(11)15(13)10-16-4/h5-9H,10H2,1-4H3
InChIKeyMHKGYXSMINVSNB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.54
Rot. Bonds2

About 2-tert-butyl-1-(methoxymethyl)indole

2-tert-butyl-1-(methoxymethyl)indole (PubChem CID 25156356) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-tert-butyl-1-(methoxymethyl)indole.

Molecular Properties

Compound Name2-tert-butyl-1-(methoxymethyl)indole
PubChem CID25156356
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-tert-butyl-1-(methoxymethyl)indole
SMILESCOCn1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C14H19NO/c1-14(2,3)13-9-11-7-5-6-8-12(11)15(13)10-16-4/h5-9H,10H2,1-4H3
InChIKeyMHKGYXSMINVSNB-UHFFFAOYSA-N
XLogP3.54
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-1-(methoxymethyl)indole
CID 76846488
2-(Diethylsilyl)-1-(methoxymethyl)-1H-indole
CID 137198218
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
CID 88965064
CID 88965064
4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide
CID 155533398
methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate
CID 59052334
tert-butyl 3-iodo-2-[1-(methoxymethyl)indol-2-yl]indole-1-carboxylate
CID 101107067
2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
CID 59171906
1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol
CID 89488999
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-(2-fluoroethyl)-2-methoxyindole
CID 174861451
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(methoxymethyl)indole?
The IUPAC name of 2-tert-butyl-1-(methoxymethyl)indole (CID 25156356) is 2-tert-butyl-1-(methoxymethyl)indole.
What is the SMILES notation for 2-tert-butyl-1-(methoxymethyl)indole?
The canonical SMILES for 2-tert-butyl-1-(methoxymethyl)indole is COCn1c(C(C)(C)C)cc2ccccc21.
What is the InChIKey of 2-tert-butyl-1-(methoxymethyl)indole?
The InChIKey is MHKGYXSMINVSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)13-9-11-7-5-6-8-12(11)15(13)10-16-4/h5-9H,10H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(methoxymethyl)indole?
2-tert-butyl-1-(methoxymethyl)indole has a molecular weight of 217.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(methoxymethyl)indole is sourced from PubChem (CID 25156356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).