1-[2-(fluoromethyl)phenyl]propan-2-amine

C10H14FN — CID 67741965

IUPAC1-[2-(fluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1CF
InChIInChI=1S/C10H14FN/c1-8(12)6-9-4-2-3-5-10(9)7-11/h2-5,8H,6-7,12H2,1H3
InChIKeyXXWFZQAKPQLVGU-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(fluoromethyl)phenyl]propan-2-amine

1-[2-(fluoromethyl)phenyl]propan-2-amine (PubChem CID 67741965) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)phenyl]propan-2-amine
PubChem CID67741965
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-[2-(fluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1CF
InChIInChI=1S/C10H14FN/c1-8(12)6-9-4-2-3-5-10(9)7-11/h2-5,8H,6-7,12H2,1H3
InChIKeyXXWFZQAKPQLVGU-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(fluoromethyl)phenyl]propan-2-amine (CID 67741965) is 1-[2-(fluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(fluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(fluoromethyl)phenyl]propan-2-amine is CC(N)Cc1ccccc1CF.
What is the InChIKey of 1-[2-(fluoromethyl)phenyl]propan-2-amine?
The InChIKey is XXWFZQAKPQLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(12)6-9-4-2-3-5-10(9)7-11/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)phenyl]propan-2-amine?
1-[2-(fluoromethyl)phenyl]propan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 67741965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).