1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride

C13H18ClNO2 — CID 115605418

IUPAC1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNCC1=Cc2ccccc2OC1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-10(15)7-14-8-11-6-12-4-2-3-5-13(12)16-9-11;/h2-6,10,14-15H,7-9H2,1H3;1H
InChIKeyJXRWPRCTKPEZOA-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.85
Rot. Bonds4

About 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride

1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride (PubChem CID 115605418) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride
PubChem CID115605418
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNCC1=Cc2ccccc2OC1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-10(15)7-14-8-11-6-12-4-2-3-5-13(12)16-9-11;/h2-6,10,14-15H,7-9H2,1H3;1H
InChIKeyJXRWPRCTKPEZOA-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride (CID 115605418) is 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride is CC(O)CNCC1=Cc2ccccc2OC1.Cl.
What is the InChIKey of 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride?
The InChIKey is JXRWPRCTKPEZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-10(15)7-14-8-11-6-12-4-2-3-5-13(12)16-9-11;/h2-6,10,14-15H,7-9H2,1H3;1H.
What are the key properties of 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride?
1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 115605418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).