2-[4-(3-fluoropropyl)phenyl]ethanamine

C11H16FN — CID 84658157

IUPAC2-[4-(3-fluoropropyl)phenyl]ethanamine
SMILESNCCc1ccc(CCCF)cc1
InChIInChI=1S/C11H16FN/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h3-6H,1-2,7-9,13H2
InChIKeyBIURSXKKNPWZEX-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-(3-fluoropropyl)phenyl]ethanamine

2-[4-(3-fluoropropyl)phenyl]ethanamine (PubChem CID 84658157) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)phenyl]ethanamine
PubChem CID84658157
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-[4-(3-fluoropropyl)phenyl]ethanamine
SMILESNCCc1ccc(CCCF)cc1
InChIInChI=1S/C11H16FN/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h3-6H,1-2,7-9,13H2
InChIKeyBIURSXKKNPWZEX-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(3-fluoropropyl)phenyl]ethanol
CID 117279232
4-(3-fluoropropyl)phenol
CID 68765958
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
CID 117298773
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-fluoropropyl)phenyl]ethanamine (CID 84658157) is 2-[4-(3-fluoropropyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-fluoropropyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-fluoropropyl)phenyl]ethanamine is NCCc1ccc(CCCF)cc1.
What is the InChIKey of 2-[4-(3-fluoropropyl)phenyl]ethanamine?
The InChIKey is BIURSXKKNPWZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h3-6H,1-2,7-9,13H2.
What are the key properties of 2-[4-(3-fluoropropyl)phenyl]ethanamine?
2-[4-(3-fluoropropyl)phenyl]ethanamine has a molecular weight of 181.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)phenyl]ethanamine is sourced from PubChem (CID 84658157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).