2-(2-fluorophenyl)-2-methylpropan-1-amine

C10H14FN — CID 19960512

IUPAC2-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccccc1F
InChIInChI=1S/C10H14FN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
InChIKeyXGXQOJHWWXEECA-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-fluorophenyl)-2-methylpropan-1-amine

2-(2-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 19960512) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-methylpropan-1-amine
PubChem CID19960512
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccccc1F
InChIInChI=1S/C10H14FN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
InChIKeyXGXQOJHWWXEECA-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-2-methylpropan-1-amine (CID 19960512) is 2-(2-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-2-methylpropan-1-amine is CC(C)(CN)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is XGXQOJHWWXEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-2-methylpropan-1-amine?
2-(2-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 19960512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).