2-(2-fluoro-6-phenylphenyl)butan-2-amine

C16H18FN — CID 138970820

IUPAC2-(2-fluoro-6-phenylphenyl)butan-2-amine
SMILESCCC(C)(N)c1c(F)cccc1-c1ccccc1
InChIInChI=1S/C16H18FN/c1-3-16(2,18)15-13(10-7-11-14(15)17)12-8-5-4-6-9-12/h4-11H,3,18H2,1-2H3
InChIKeyJMTPMKGSMXFCFD-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.08
Rot. Bonds3

About 2-(2-fluoro-6-phenylphenyl)butan-2-amine

2-(2-fluoro-6-phenylphenyl)butan-2-amine (PubChem CID 138970820) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(2-fluoro-6-phenylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-6-phenylphenyl)butan-2-amine
PubChem CID138970820
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-(2-fluoro-6-phenylphenyl)butan-2-amine
SMILESCCC(C)(N)c1c(F)cccc1-c1ccccc1
InChIInChI=1S/C16H18FN/c1-3-16(2,18)15-13(10-7-11-14(15)17)12-8-5-4-6-9-12/h4-11H,3,18H2,1-2H3
InChIKeyJMTPMKGSMXFCFD-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-phenylphenyl)butan-2-amine?
The IUPAC name of 2-(2-fluoro-6-phenylphenyl)butan-2-amine (CID 138970820) is 2-(2-fluoro-6-phenylphenyl)butan-2-amine.
What is the SMILES notation for 2-(2-fluoro-6-phenylphenyl)butan-2-amine?
The canonical SMILES for 2-(2-fluoro-6-phenylphenyl)butan-2-amine is CCC(C)(N)c1c(F)cccc1-c1ccccc1.
What is the InChIKey of 2-(2-fluoro-6-phenylphenyl)butan-2-amine?
The InChIKey is JMTPMKGSMXFCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-16(2,18)15-13(10-7-11-14(15)17)12-8-5-4-6-9-12/h4-11H,3,18H2,1-2H3.
What are the key properties of 2-(2-fluoro-6-phenylphenyl)butan-2-amine?
2-(2-fluoro-6-phenylphenyl)butan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-phenylphenyl)butan-2-amine is sourced from PubChem (CID 138970820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).