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

C18H15ClN2O — CID 122182766

IUPAC2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H15ClN2O/c19-15-7-5-13(6-8-15)17-10-9-16(12-21-17)20-11-14-3-1-2-4-18(14)22/h1-10,12,20,22H,11H2
InChIKeyRIHKOFOOKOXXKT-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.72
Rot. Bonds4

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

2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 122182766) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol
PubChem CID122182766
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H15ClN2O/c19-15-7-5-13(6-8-15)17-10-9-16(12-21-17)20-11-14-3-1-2-4-18(14)22/h1-10,12,20,22H,11H2
InChIKeyRIHKOFOOKOXXKT-UHFFFAOYSA-N
XLogP4.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chlorophenyl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol (CID 122182766) is 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol is Oc1ccccc1CNc1ccc(-c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is RIHKOFOOKOXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-15-7-5-13(6-8-15)17-10-9-16(12-21-17)20-11-14-3-1-2-4-18(14)22/h1-10,12,20,22H,11H2.
What are the key properties of 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol?
2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 310.78 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(4-chlorophenyl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 122182766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).