1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine

C19H24FN — CID 81440632

IUPAC1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
SMILESCCC(C)(C)c1ccc(-c2ccc(CNC)cc2F)cc1
InChIInChI=1S/C19H24FN/c1-5-19(2,3)16-9-7-15(8-10-16)17-11-6-14(13-21-4)12-18(17)20/h6-12,21H,5,13H2,1-4H3
InChIKeyOTGORGIETVABJN-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.90
Rot. Bonds5

About 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine

1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 81440632) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
PubChem CID81440632
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
SMILESCCC(C)(C)c1ccc(-c2ccc(CNC)cc2F)cc1
InChIInChI=1S/C19H24FN/c1-5-19(2,3)16-9-7-15(8-10-16)17-11-6-14(13-21-4)12-18(17)20/h6-12,21H,5,13H2,1-4H3
InChIKeyOTGORGIETVABJN-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine (CID 81440632) is 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine is CCC(C)(C)c1ccc(-c2ccc(CNC)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is OTGORGIETVABJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-5-19(2,3)16-9-7-15(8-10-16)17-11-6-14(13-21-4)12-18(17)20/h6-12,21H,5,13H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 81440632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).