1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine

C15H20N2O — CID 116869840

IUPAC1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
SMILESCC(N)CC1(c2cn(C)c3ccccc23)COC1
InChIInChI=1S/C15H20N2O/c1-11(16)7-15(9-18-10-15)13-8-17(2)14-6-4-3-5-12(13)14/h3-6,8,11H,7,9-10,16H2,1-2H3
InChIKeyJRFXUVSCHMFLEN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.18
Rot. Bonds3

About 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine

1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869840) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869840
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
SMILESCC(N)CC1(c2cn(C)c3ccccc23)COC1
InChIInChI=1S/C15H20N2O/c1-11(16)7-15(9-18-10-15)13-8-17(2)14-6-4-3-5-12(13)14/h3-6,8,11H,7,9-10,16H2,1-2H3
InChIKeyJRFXUVSCHMFLEN-UHFFFAOYSA-N
XLogP2.18
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
CID 116875329
2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
CID 116872061
3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
CID 116872351
1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
CID 10752435
2-[1-(1-methylindol-3-yl)cyclopropyl]propan-2-amine
CID 83673846
1-methyl-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 154503524
1-methyl-3-propan-2-ylindole
CID 10942942

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine (CID 116869840) is 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine is CC(N)CC1(c2cn(C)c3ccccc23)COC1.
What is the InChIKey of 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is JRFXUVSCHMFLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(16)7-15(9-18-10-15)13-8-17(2)14-6-4-3-5-12(13)14/h3-6,8,11H,7,9-10,16H2,1-2H3.
What are the key properties of 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine?
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).