2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine

C15H21NO2 — CID 116869677

IUPAC2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
SMILESCNCCC1(c2ccc3c(c2)CCCO3)COC1
InChIInChI=1S/C15H21NO2/c1-16-7-6-15(10-17-11-15)13-4-5-14-12(9-13)3-2-8-18-14/h4-5,9,16H,2-3,6-8,10-11H2,1H3
InChIKeyRSVIKQBYGCYCGA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds4

About 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine

2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine (PubChem CID 116869677) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
PubChem CID116869677
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
SMILESCNCCC1(c2ccc3c(c2)CCCO3)COC1
InChIInChI=1S/C15H21NO2/c1-16-7-6-15(10-17-11-15)13-4-5-14-12(9-13)3-2-8-18-14/h4-5,9,16H,2-3,6-8,10-11H2,1H3
InChIKeyRSVIKQBYGCYCGA-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869633
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
CID 116853389
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane
CID 116871478
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
CID 116872070
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132458
3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine
CID 116870883

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine (CID 116869677) is 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine is CNCCC1(c2ccc3c(c2)CCCO3)COC1.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine?
The InChIKey is RSVIKQBYGCYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-7-6-15(10-17-11-15)13-4-5-14-12(9-13)3-2-8-18-14/h4-5,9,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine?
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine has a molecular weight of 247.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine is sourced from PubChem (CID 116869677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).