1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride

C19H21ClN2O2 — CID 24747129

IUPAC1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNCc1cccnc1)COc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O2.ClH/c22-18(13-21-12-15-4-3-9-20-11-15)14-23-19-8-7-16-5-1-2-6-17(16)10-19;/h1-11,18,21-22H,12-14H2;1H
InChIKeyBWOAKNSOURYMSO-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.19
Rot. Bonds7

About 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride

1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride (PubChem CID 24747129) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride
PubChem CID24747129
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNCc1cccnc1)COc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O2.ClH/c22-18(13-21-12-15-4-3-9-20-11-15)14-23-19-8-7-16-5-1-2-6-17(16)10-19;/h1-11,18,21-22H,12-14H2;1H
InChIKeyBWOAKNSOURYMSO-UHFFFAOYSA-N
XLogP3.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride (CID 24747129) is 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride is Cl.OC(CNCc1cccnc1)COc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride?
The InChIKey is BWOAKNSOURYMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c22-18(13-21-12-15-4-3-9-20-11-15)14-23-19-8-7-16-5-1-2-6-17(16)10-19;/h1-11,18,21-22H,12-14H2;1H.
What are the key properties of 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride?
1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yloxy-3-(pyridin-3-ylmethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 24747129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).