2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine

C16H18FN — CID 82085168

IUPAC2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-16(2,11-18)14-8-6-12(7-9-14)13-4-3-5-15(17)10-13/h3-10H,11,18H2,1-2H3
InChIKeyFYQRZTOKZQSBCX-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.73
Rot. Bonds3

About 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine

2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine (PubChem CID 82085168) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
PubChem CID82085168
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-16(2,11-18)14-8-6-12(7-9-14)13-4-3-5-15(17)10-13/h3-10H,11,18H2,1-2H3
InChIKeyFYQRZTOKZQSBCX-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine (CID 82085168) is 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine is CC(C)(CN)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is FYQRZTOKZQSBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-16(2,11-18)14-8-6-12(7-9-14)13-4-3-5-15(17)10-13/h3-10H,11,18H2,1-2H3.
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine?
2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82085168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).