[2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine

C22H21F2NO — CID 159459194

IUPAC[2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine
SMILESCOc1cc(-c2cccc(-c3ccc(C)c(F)c3)c2C)cc(F)c1CN
InChIInChI=1S/C22H21F2NO/c1-13-7-8-15(9-20(13)23)17-5-4-6-18(14(17)2)16-10-21(24)19(12-25)22(11-16)26-3/h4-11H,12,25H2,1-3H3
InChIKeyLUJFBKQAHFFDSY-UHFFFAOYSA-N
MW353.41 g/mol
LogP5.38
Rot. Bonds4

About [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine

[2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine (PubChem CID 159459194) has the molecular formula C22H21F2NO and a molecular weight of 353.41 g/mol. Its IUPAC name is [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine
PubChem CID159459194
Molecular FormulaC22H21F2NO
Molecular Weight353.41 g/mol
Exact Mass353.16
IUPAC Name[2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine
SMILESCOc1cc(-c2cccc(-c3ccc(C)c(F)c3)c2C)cc(F)c1CN
InChIInChI=1S/C22H21F2NO/c1-13-7-8-15(9-20(13)23)17-5-4-6-18(14(17)2)16-10-21(24)19(12-25)22(11-16)26-3/h4-11H,12,25H2,1-3H3
InChIKeyLUJFBKQAHFFDSY-UHFFFAOYSA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine?
The IUPAC name of [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine (CID 159459194) is [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine?
The canonical SMILES for [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine is COc1cc(-c2cccc(-c3ccc(C)c(F)c3)c2C)cc(F)c1CN.
What is the InChIKey of [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine?
The InChIKey is LUJFBKQAHFFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO/c1-13-7-8-15(9-20(13)23)17-5-4-6-18(14(17)2)16-10-21(24)19(12-25)22(11-16)26-3/h4-11H,12,25H2,1-3H3.
What are the key properties of [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine?
[2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine has a molecular weight of 353.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[3-(3-fluoro-4-methylphenyl)-2-methylphenyl]-6-methoxyphenyl]methanamine is sourced from PubChem (CID 159459194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).