[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine

C27H25FN2O2 — CID 155426185

IUPAC[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine
SMILESCOc1cc(-c2cccc(-c3cccc(Oc4ccccn4)c3C)c2C)cc(F)c1CN
InChIInChI=1S/C27H25FN2O2/c1-17-20(19-14-24(28)23(16-29)26(15-19)31-3)8-6-9-21(17)22-10-7-11-25(18(22)2)32-27-12-4-5-13-30-27/h4-15H,16,29H2,1-3H3
InChIKeyQGTUJDNHOPPBBY-UHFFFAOYSA-N
MW428.51 g/mol
LogP6.43
Rot. Bonds6

About [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine

[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine (PubChem CID 155426185) has the molecular formula C27H25FN2O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine
PubChem CID155426185
Molecular FormulaC27H25FN2O2
Molecular Weight428.51 g/mol
Exact Mass428.19
IUPAC Name[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine
SMILESCOc1cc(-c2cccc(-c3cccc(Oc4ccccn4)c3C)c2C)cc(F)c1CN
InChIInChI=1S/C27H25FN2O2/c1-17-20(19-14-24(28)23(16-29)26(15-19)31-3)8-6-9-21(17)22-10-7-11-25(18(22)2)32-27-12-4-5-13-30-27/h4-15H,16,29H2,1-3H3
InChIKeyQGTUJDNHOPPBBY-UHFFFAOYSA-N
XLogP6.43
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine (CID 155426185) is [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine is COc1cc(-c2cccc(-c3cccc(Oc4ccccn4)c3C)c2C)cc(F)c1CN.
What is the InChIKey of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine?
The InChIKey is QGTUJDNHOPPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O2/c1-17-20(19-14-24(28)23(16-29)26(15-19)31-3)8-6-9-21(17)22-10-7-11-25(18(22)2)32-27-12-4-5-13-30-27/h4-15H,16,29H2,1-3H3.
What are the key properties of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine?
[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine has a molecular weight of 428.51 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-pyridin-2-yloxyphenyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 155426185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).