2-[3-(fluoromethyl)phenyl]propan-1-amine

C10H14FN — CID 84652810

IUPAC2-[3-(fluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(CF)c1
InChIInChI=1S/C10H14FN/c1-8(7-12)10-4-2-3-9(5-10)6-11/h2-5,8H,6-7,12H2,1H3
InChIKeyZJVVAOHUSJUVOI-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.22
Rot. Bonds3

About 2-[3-(fluoromethyl)phenyl]propan-1-amine

2-[3-(fluoromethyl)phenyl]propan-1-amine (PubChem CID 84652810) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)phenyl]propan-1-amine
PubChem CID84652810
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-[3-(fluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1cccc(CF)c1
InChIInChI=1S/C10H14FN/c1-8(7-12)10-4-2-3-9(5-10)6-11/h2-5,8H,6-7,12H2,1H3
InChIKeyZJVVAOHUSJUVOI-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(fluoromethyl)phenyl]butanoic acid
CID 84666853
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
3-(1-aminopropan-2-yl)-N,N-diethylaniline
CID 117295299
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
1,3-bis(fluoromethyl)benzene
CID 23234185
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
3-(1-aminopropan-2-yl)benzoic acid
CID 55255769
3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
CID 117320874
1-butan-2-yl-3-ethylbenzene
CID 528681

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-(fluoromethyl)phenyl]propan-1-amine (CID 84652810) is 2-[3-(fluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-(fluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-(fluoromethyl)phenyl]propan-1-amine is CC(CN)c1cccc(CF)c1.
What is the InChIKey of 2-[3-(fluoromethyl)phenyl]propan-1-amine?
The InChIKey is ZJVVAOHUSJUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(7-12)10-4-2-3-9(5-10)6-11/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)phenyl]propan-1-amine?
2-[3-(fluoromethyl)phenyl]propan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 84652810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).