2-fluoro-2-(4-phenylphenyl)butan-1-amine

C16H18FN — CID 112566065

IUPAC2-fluoro-2-(4-phenylphenyl)butan-1-amine
SMILESCCC(F)(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18FN/c1-2-16(17,12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12,18H2,1H3
InChIKeyLBFPPOBYJCTNFE-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.89
Rot. Bonds4

About 2-fluoro-2-(4-phenylphenyl)butan-1-amine

2-fluoro-2-(4-phenylphenyl)butan-1-amine (PubChem CID 112566065) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-fluoro-2-(4-phenylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(4-phenylphenyl)butan-1-amine
PubChem CID112566065
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-fluoro-2-(4-phenylphenyl)butan-1-amine
SMILESCCC(F)(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18FN/c1-2-16(17,12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12,18H2,1H3
InChIKeyLBFPPOBYJCTNFE-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-phenylphenyl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(4-phenylphenyl)butan-1-amine (CID 112566065) is 2-fluoro-2-(4-phenylphenyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(4-phenylphenyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(4-phenylphenyl)butan-1-amine is CCC(F)(CN)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-fluoro-2-(4-phenylphenyl)butan-1-amine?
The InChIKey is LBFPPOBYJCTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-2-16(17,12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12,18H2,1H3.
What are the key properties of 2-fluoro-2-(4-phenylphenyl)butan-1-amine?
2-fluoro-2-(4-phenylphenyl)butan-1-amine has a molecular weight of 243.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-phenylphenyl)butan-1-amine is sourced from PubChem (CID 112566065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).