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

C27H31FN2O2 — CID 155463713

IUPAC[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine
SMILESCOc1cc(-c2cccc(-c3cccc(OC4CCCNC4)c3C)c2C)cc(F)c1CN
InChIInChI=1S/C27H31FN2O2/c1-17-21(19-13-25(28)24(15-29)27(14-19)31-3)8-4-9-22(17)23-10-5-11-26(18(23)2)32-20-7-6-12-30-16-20/h4-5,8-11,13-14,20,30H,6-7,12,15-16,29H2,1-3H3
InChIKeyRPCJXVVXOZSVTM-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.37
Rot. Bonds6

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

[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine (PubChem CID 155463713) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine
PubChem CID155463713
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC Name[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine
SMILESCOc1cc(-c2cccc(-c3cccc(OC4CCCNC4)c3C)c2C)cc(F)c1CN
InChIInChI=1S/C27H31FN2O2/c1-17-21(19-13-25(28)24(15-29)27(14-19)31-3)8-4-9-22(17)23-10-5-11-26(18(23)2)32-20-7-6-12-30-16-20/h4-5,8-11,13-14,20,30H,6-7,12,15-16,29H2,1-3H3
InChIKeyRPCJXVVXOZSVTM-UHFFFAOYSA-N
XLogP5.37
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.37
H-Bond Donors ≤ 52
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-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine (CID 155463713) is [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine is COc1cc(-c2cccc(-c3cccc(OC4CCCNC4)c3C)c2C)cc(F)c1CN.
What is the InChIKey of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine?
The InChIKey is RPCJXVVXOZSVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O2/c1-17-21(19-13-25(28)24(15-29)27(14-19)31-3)8-4-9-22(17)23-10-5-11-26(18(23)2)32-20-7-6-12-30-16-20/h4-5,8-11,13-14,20,30H,6-7,12,15-16,29H2,1-3H3.
What are the key properties of [2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine?
[2-fluoro-6-methoxy-4-[2-methyl-3-(2-methyl-3-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine has a molecular weight of 434.56 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 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-piperidin-3-yloxyphenyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 155463713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).