3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol

C15H19Cl2NO3 — CID 107270591

IUPAC3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H19Cl2NO3/c1-9-15(19,3-5-20-9)8-18-13-2-4-21-14-11(13)6-10(16)7-12(14)17/h6-7,9,13,18-19H,2-5,8H2,1H3
InChIKeyWIMLRJWOBBLPPI-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.95
Rot. Bonds3

About 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270591) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID107270591
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H19Cl2NO3/c1-9-15(19,3-5-20-9)8-18-13-2-4-21-14-11(13)6-10(16)7-12(14)17/h6-7,9,13,18-19H,2-5,8H2,1H3
InChIKeyWIMLRJWOBBLPPI-UHFFFAOYSA-N
XLogP2.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 62846074
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895378
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999

Frequently Asked Questions

What is the IUPAC name of 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 107270591) is 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is WIMLRJWOBBLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-9-15(19,3-5-20-9)8-18-13-2-4-21-14-11(13)6-10(16)7-12(14)17/h6-7,9,13,18-19H,2-5,8H2,1H3.
What are the key properties of 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 332.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).