2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

C21H21FN2O2 — CID 135857464

IUPAC2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CNCCc3cccc(F)c3)c2)n1
InChIInChI=1S/C21H21FN2O2/c1-26-21-7-3-6-19(24-21)16-8-9-20(25)17(13-16)14-23-11-10-15-4-2-5-18(22)12-15/h2-9,12-13,23,25H,10-11,14H2,1H3
InChIKeyRDLAJFXKBQYPAV-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.93
Rot. Bonds7

About 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135857464) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135857464
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CNCCc3cccc(F)c3)c2)n1
InChIInChI=1S/C21H21FN2O2/c1-26-21-7-3-6-19(24-21)16-8-9-20(25)17(13-16)14-23-11-10-15-4-2-5-18(22)12-15/h2-9,12-13,23,25H,10-11,14H2,1H3
InChIKeyRDLAJFXKBQYPAV-UHFFFAOYSA-N
XLogP3.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135857464) is 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CNCCc3cccc(F)c3)c2)n1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is RDLAJFXKBQYPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-26-21-7-3-6-19(24-21)16-8-9-20(25)17(13-16)14-23-11-10-15-4-2-5-18(22)12-15/h2-9,12-13,23,25H,10-11,14H2,1H3.
What are the key properties of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 352.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135857464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).