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

C18H24N2O — CID 4022756

IUPAC2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol
SMILESCN(C)Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O/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
InChIKeyULZWUUKKIUFVNC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.81
Rot. Bonds3

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

2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol (PubChem CID 4022756) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol
PubChem CID4022756
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol
SMILESCN(C)Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O/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
InChIKeyULZWUUKKIUFVNC-UHFFFAOYSA-N
XLogP3.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.81
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?
The IUPAC name of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol (CID 4022756) is 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol is CN(C)Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol?
The InChIKey is ULZWUUKKIUFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/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.
What are the key properties of 2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol?
2-(4-tert-butylphenyl)-6-[(dimethylamino)methyl]pyridin-3-ol has a molecular weight of 284.40 g/mol, XLogP of 3.81, 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 is sourced from PubChem (CID 4022756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).