6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride

C16H21ClN2O — CID 6602684

IUPAC6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride
SMILESCN(C)Cc1ccc(O)c(CCc2ccccc2)n1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-18(2)12-14-9-11-16(19)15(17-14)10-8-13-6-4-3-5-7-13;/h3-7,9,11,19H,8,10,12H2,1-2H3;1H
InChIKeyWXRYCAWNRKDQMK-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.06
Rot. Bonds5

About 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride

6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride (PubChem CID 6602684) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride
PubChem CID6602684
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride
SMILESCN(C)Cc1ccc(O)c(CCc2ccccc2)n1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-18(2)12-14-9-11-16(19)15(17-14)10-8-13-6-4-3-5-7-13;/h3-7,9,11,19H,8,10,12H2,1-2H3;1H
InChIKeyWXRYCAWNRKDQMK-UHFFFAOYSA-N
XLogP3.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride?
The IUPAC name of 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride (CID 6602684) is 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride is CN(C)Cc1ccc(O)c(CCc2ccccc2)n1.Cl.
What is the InChIKey of 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride?
The InChIKey is WXRYCAWNRKDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-18(2)12-14-9-11-16(19)15(17-14)10-8-13-6-4-3-5-7-13;/h3-7,9,11,19H,8,10,12H2,1-2H3;1H.
What are the key properties of 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride?
6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-2-(2-phenylethyl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 6602684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).