2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol

C19H18N2O2 — CID 122182768

IUPAC2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol
SMILESCOc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1
InChIInChI=1S/C19H18N2O2/c1-23-17-9-6-14(7-10-17)18-11-8-16(13-21-18)20-12-15-4-2-3-5-19(15)22/h2-11,13,20,22H,12H2,1H3
InChIKeyNBSXYXAKKYAXMK-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.07
Rot. Bonds5

About 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol

2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 122182768) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol
PubChem CID122182768
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol
SMILESCOc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1
InChIInChI=1S/C19H18N2O2/c1-23-17-9-6-14(7-10-17)18-11-8-16(13-21-18)20-12-15-4-2-3-5-19(15)22/h2-11,13,20,22H,12H2,1H3
InChIKeyNBSXYXAKKYAXMK-UHFFFAOYSA-N
XLogP4.07
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.07
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 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol (CID 122182768) is 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol is COc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1.
What is the InChIKey of 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is NBSXYXAKKYAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-17-9-6-14(7-10-17)18-11-8-16(13-21-18)20-12-15-4-2-3-5-19(15)22/h2-11,13,20,22H,12H2,1H3.
What are the key properties of 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol?
2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 306.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(4-methoxyphenyl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 122182768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).