3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide

C12H18BrNO2 — CID 131732536

IUPAC3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide
SMILESBr.CCCNC1COc2cc(O)ccc2C1
InChIInChI=1S/C12H17NO2.BrH/c1-2-5-13-10-6-9-3-4-11(14)7-12(9)15-8-10;/h3-4,7,10,13-14H,2,5-6,8H2,1H3;1H
InChIKeyHTBHKQYTXRTKSD-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.27
Rot. Bonds3

About 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide

3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide (PubChem CID 131732536) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide.

Molecular Properties

Compound Name3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide
PubChem CID131732536
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide
SMILESBr.CCCNC1COc2cc(O)ccc2C1
InChIInChI=1S/C12H17NO2.BrH/c1-2-5-13-10-6-9-3-4-11(14)7-12(9)15-8-10;/h3-4,7,10,13-14H,2,5-6,8H2,1H3;1H
InChIKeyHTBHKQYTXRTKSD-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamic acid
CID 137480448
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 11708657
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 23636110
(3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol
CID 162970111
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105474259
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
CID 177248657
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide?
The IUPAC name of 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide (CID 131732536) is 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide.
What is the SMILES notation for 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide?
The canonical SMILES for 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide is Br.CCCNC1COc2cc(O)ccc2C1.
What is the InChIKey of 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide?
The InChIKey is HTBHKQYTXRTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.BrH/c1-2-5-13-10-6-9-3-4-11(14)7-12(9)15-8-10;/h3-4,7,10,13-14H,2,5-6,8H2,1H3;1H.
What are the key properties of 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide?
3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide has a molecular weight of 288.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide is sourced from PubChem (CID 131732536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).