1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine

C13H20FN — CID 117299425

IUPAC1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)F)cc1CC(C)(C)N
InChIInChI=1S/C13H20FN/c1-9-5-6-11(10(2)14)7-12(9)8-13(3,4)15/h5-7,10H,8,15H2,1-4H3
InChIKeyXVTRAXYBDGRNTQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.31
Rot. Bonds3

About 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine

1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine (PubChem CID 117299425) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
PubChem CID117299425
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)F)cc1CC(C)(C)N
InChIInChI=1S/C13H20FN/c1-9-5-6-11(10(2)14)7-12(9)8-13(3,4)15/h5-7,10H,8,15H2,1-4H3
InChIKeyXVTRAXYBDGRNTQ-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine (CID 117299425) is 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine is Cc1ccc(C(C)F)cc1CC(C)(C)N.
What is the InChIKey of 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine?
The InChIKey is XVTRAXYBDGRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-5-6-11(10(2)14)7-12(9)8-13(3,4)15/h5-7,10H,8,15H2,1-4H3.
What are the key properties of 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine?
1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117299425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).