1-fluoro-3-methyl-1,1-diphenylbutan-2-amine

C17H20FN — CID 3702655

IUPAC1-fluoro-3-methyl-1,1-diphenylbutan-2-amine
SMILESCC(C)C(N)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20FN/c1-13(2)16(19)17(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,19H2,1-2H3
InChIKeyMJIXRSWLVFUMCB-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.88
Rot. Bonds4

About 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine

1-fluoro-3-methyl-1,1-diphenylbutan-2-amine (PubChem CID 3702655) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-methyl-1,1-diphenylbutan-2-amine
PubChem CID3702655
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-fluoro-3-methyl-1,1-diphenylbutan-2-amine
SMILESCC(C)C(N)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20FN/c1-13(2)16(19)17(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,19H2,1-2H3
InChIKeyMJIXRSWLVFUMCB-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine?
The IUPAC name of 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine (CID 3702655) is 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine.
What is the SMILES notation for 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine?
The canonical SMILES for 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine is CC(C)C(N)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine?
The InChIKey is MJIXRSWLVFUMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13(2)16(19)17(18,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,19H2,1-2H3.
What are the key properties of 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine?
1-fluoro-3-methyl-1,1-diphenylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-1,1-diphenylbutan-2-amine is sourced from PubChem (CID 3702655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).