3-fluoro-3-methyl-4-phenylbutan-1-amine

C11H16FN — CID 83855362

IUPAC3-fluoro-3-methyl-4-phenylbutan-1-amine
SMILESCC(F)(CCN)Cc1ccccc1
InChIInChI=1S/C11H16FN/c1-11(12,7-8-13)9-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3
InChIKeyZBMVWJOCDJQYTM-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.31
Rot. Bonds4

About 3-fluoro-3-methyl-4-phenylbutan-1-amine

3-fluoro-3-methyl-4-phenylbutan-1-amine (PubChem CID 83855362) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-phenylbutan-1-amine
PubChem CID83855362
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-fluoro-3-methyl-4-phenylbutan-1-amine
SMILESCC(F)(CCN)Cc1ccccc1
InChIInChI=1S/C11H16FN/c1-11(12,7-8-13)9-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3
InChIKeyZBMVWJOCDJQYTM-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-phenylbutan-1-amine?
The IUPAC name of 3-fluoro-3-methyl-4-phenylbutan-1-amine (CID 83855362) is 3-fluoro-3-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 3-fluoro-3-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 3-fluoro-3-methyl-4-phenylbutan-1-amine is CC(F)(CCN)Cc1ccccc1.
What is the InChIKey of 3-fluoro-3-methyl-4-phenylbutan-1-amine?
The InChIKey is ZBMVWJOCDJQYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-11(12,7-8-13)9-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3.
What are the key properties of 3-fluoro-3-methyl-4-phenylbutan-1-amine?
3-fluoro-3-methyl-4-phenylbutan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 83855362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).