1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine

C21H20ClFN2O — CID 86303961

IUPAC1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCOc1ncc(C(c2ccc(F)cc2)N(C)C)cc1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2O/c1-25(2)20(14-7-9-18(23)10-8-14)16-12-19(21(26-3)24-13-16)15-5-4-6-17(22)11-15/h4-13,20H,1-3H3
InChIKeyFHYGJJCXJHUKMB-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.20
Rot. Bonds5

About 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine

1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 86303961) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID86303961
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCOc1ncc(C(c2ccc(F)cc2)N(C)C)cc1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2O/c1-25(2)20(14-7-9-18(23)10-8-14)16-12-19(21(26-3)24-13-16)15-5-4-6-17(22)11-15/h4-13,20H,1-3H3
InChIKeyFHYGJJCXJHUKMB-UHFFFAOYSA-N
XLogP5.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine (CID 86303961) is 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine is COc1ncc(C(c2ccc(F)cc2)N(C)C)cc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is FHYGJJCXJHUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c1-25(2)20(14-7-9-18(23)10-8-14)16-12-19(21(26-3)24-13-16)15-5-4-6-17(22)11-15/h4-13,20H,1-3H3.
What are the key properties of 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 370.86 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 86303961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).