4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol

C23H27N3O — CID 135987669

IUPAC4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CCN(C)C)n2)ccc1O
InChIInChI=1S/C23H27N3O/c1-17-14-19(10-11-22(17)27)21-15-20(18-8-6-5-7-9-18)16-23(24-21)26(4)13-12-25(2)3/h5-11,14-16,27H,12-13H2,1-4H3
InChIKeyIPMFARPWLNIIMH-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.43
Rot. Bonds6

About 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol

4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol (PubChem CID 135987669) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol
PubChem CID135987669
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CCN(C)C)n2)ccc1O
InChIInChI=1S/C23H27N3O/c1-17-14-19(10-11-22(17)27)21-15-20(18-8-6-5-7-9-18)16-23(24-21)26(4)13-12-25(2)3/h5-11,14-16,27H,12-13H2,1-4H3
InChIKeyIPMFARPWLNIIMH-UHFFFAOYSA-N
XLogP4.43
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The IUPAC name of 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol (CID 135987669) is 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol.
What is the SMILES notation for 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The canonical SMILES for 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCN(C)C)n2)ccc1O.
What is the InChIKey of 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The InChIKey is IPMFARPWLNIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-14-19(10-11-22(17)27)21-15-20(18-8-6-5-7-9-18)16-23(24-21)26(4)13-12-25(2)3/h5-11,14-16,27H,12-13H2,1-4H3.
What are the key properties of 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol?
4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol has a molecular weight of 361.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(dimethylamino)ethyl-methylamino]-4-phenyl-2-pyridinyl]-2-methylphenol is sourced from PubChem (CID 135987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).