2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride

C18H25ClN2O — CID 44522042

IUPAC2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride
SMILESCN(C)Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)n1.Cl
InChIInChI=1S/C18H24N2O.ClH/c1-18(2,3)14-8-6-13(7-9-14)17-16(21)11-10-15(19-17)12-20(4)5;/h6-11,21H,12H2,1-5H3;1H
InChIKeyXYNLWYZOYPXPRQ-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride

2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride (PubChem CID 44522042) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride
PubChem CID44522042
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride
SMILESCN(C)Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)n1.Cl
InChIInChI=1S/C18H24N2O.ClH/c1-18(2,3)14-8-6-13(7-9-14)17-16(21)11-10-15(19-17)12-20(4)5;/h6-11,21H,12H2,1-5H3;1H
InChIKeyXYNLWYZOYPXPRQ-UHFFFAOYSA-N
XLogP4.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride?
The IUPAC name of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride (CID 44522042) is 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride is CN(C)Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)n1.Cl.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride?
The InChIKey is XYNLWYZOYPXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.ClH/c1-18(2,3)14-8-6-13(7-9-14)17-16(21)11-10-15(19-17)12-20(4)5;/h6-11,21H,12H2,1-5H3;1H.
What are the key properties of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride?
2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol;hydrochloride is sourced from PubChem (CID 44522042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).