4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol

C25H24N2O2 — CID 135971369

IUPAC4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol
SMILESCOc1cccc(-c2ccc(O)c(CNC(C)c3cccc4ccccc34)c2)n1
InChIInChI=1S/C25H24N2O2/c1-17(21-10-5-8-18-7-3-4-9-22(18)21)26-16-20-15-19(13-14-24(20)28)23-11-6-12-25(27-23)29-2/h3-15,17,26,28H,16H2,1-2H3
InChIKeyUQKCCVBTLTVZHF-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.47
Rot. Bonds6

About 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol

4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol (PubChem CID 135971369) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol
PubChem CID135971369
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol
SMILESCOc1cccc(-c2ccc(O)c(CNC(C)c3cccc4ccccc34)c2)n1
InChIInChI=1S/C25H24N2O2/c1-17(21-10-5-8-18-7-3-4-9-22(18)21)26-16-20-15-19(13-14-24(20)28)23-11-6-12-25(27-23)29-2/h3-15,17,26,28H,16H2,1-2H3
InChIKeyUQKCCVBTLTVZHF-UHFFFAOYSA-N
XLogP5.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol (CID 135971369) is 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol is COc1cccc(-c2ccc(O)c(CNC(C)c3cccc4ccccc34)c2)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol?
The InChIKey is UQKCCVBTLTVZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17(21-10-5-8-18-7-3-4-9-22(18)21)26-16-20-15-19(13-14-24(20)28)23-11-6-12-25(27-23)29-2/h3-15,17,26,28H,16H2,1-2H3.
What are the key properties of 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol?
4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol has a molecular weight of 384.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)-2-[(1-naphthalen-1-ylethylamino)methyl]phenol is sourced from PubChem (CID 135971369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).