1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C15H20N2O2 — CID 104705018

IUPAC1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cccc3[nH]ccc23)CCOC1
InChIInChI=1S/C15H20N2O2/c1-18-15(6-8-19-11-15)10-16-9-12-3-2-4-14-13(12)5-7-17-14/h2-5,7,16-17H,6,8-11H2,1H3
InChIKeyUQIOWOCCYQKAFV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds5

About 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104705018) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104705018
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cccc3[nH]ccc23)CCOC1
InChIInChI=1S/C15H20N2O2/c1-18-15(6-8-19-11-15)10-16-9-12-3-2-4-14-13(12)5-7-17-14/h2-5,7,16-17H,6,8-11H2,1H3
InChIKeyUQIOWOCCYQKAFV-UHFFFAOYSA-N
XLogP2.06
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
1-(5-chloroquinolin-8-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705086

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104705018) is 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2cccc3[nH]ccc23)CCOC1.
What is the InChIKey of 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is UQIOWOCCYQKAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-15(6-8-19-11-15)10-16-9-12-3-2-4-14-13(12)5-7-17-14/h2-5,7,16-17H,6,8-11H2,1H3.
What are the key properties of 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104705018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).