4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol

C15H22FNO2 — CID 82188588

IUPAC4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
SMILESCCCN(CCC)C1c2cc(F)ccc2OCC1O
InChIInChI=1S/C15H22FNO2/c1-3-7-17(8-4-2)15-12-9-11(16)5-6-14(12)19-10-13(15)18/h5-6,9,13,15,18H,3-4,7-8,10H2,1-2H3
InChIKeyMVWAHEMPGFDRAV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.74
Rot. Bonds5

About 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol

4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188588) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188588
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
SMILESCCCN(CCC)C1c2cc(F)ccc2OCC1O
InChIInChI=1S/C15H22FNO2/c1-3-7-17(8-4-2)15-12-9-11(16)5-6-14(12)19-10-13(15)18/h5-6,9,13,15,18H,3-4,7-8,10H2,1-2H3
InChIKeyMVWAHEMPGFDRAV-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188579
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol
CID 10777150
2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride
CID 45264176
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187139
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol (CID 82188588) is 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol is CCCN(CCC)C1c2cc(F)ccc2OCC1O.
What is the InChIKey of 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is MVWAHEMPGFDRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-7-17(8-4-2)15-12-9-11(16)5-6-14(12)19-10-13(15)18/h5-6,9,13,15,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 267.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).