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

C11H16FN — CID 84658162

IUPAC2-[3-(2-fluoropropyl)phenyl]ethanamine
SMILESCC(F)Cc1cccc(CCN)c1
InChIInChI=1S/C11H16FN/c1-9(12)7-11-4-2-3-10(8-11)5-6-13/h2-4,8-9H,5-7,13H2,1H3
InChIKeyHWTYCETZUSDPSC-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.09
Rot. Bonds4

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

2-[3-(2-fluoropropyl)phenyl]ethanamine (PubChem CID 84658162) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-[3-(2-fluoropropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-fluoropropyl)phenyl]ethanamine
PubChem CID84658162
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-[3-(2-fluoropropyl)phenyl]ethanamine
SMILESCC(F)Cc1cccc(CCN)c1
InChIInChI=1S/C11H16FN/c1-9(12)7-11-4-2-3-10(8-11)5-6-13/h2-4,8-9H,5-7,13H2,1H3
InChIKeyHWTYCETZUSDPSC-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
(E)-3-[3-(2-fluoropropyl)phenyl]prop-2-en-1-amine
CID 117283957
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
3-(2-fluoropropyl)benzonitrile
CID 117276196
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
3-(2-fluoropropyl)benzoic acid
CID 84658380
2-[3-(2,2-difluoroethylsulfanyl)phenyl]ethanamine
CID 84683033
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
4-[3-(3-aminopropyl)phenyl]butan-2-ol
CID 71016170
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoropropyl)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-fluoropropyl)phenyl]ethanamine (CID 84658162) is 2-[3-(2-fluoropropyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-fluoropropyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-fluoropropyl)phenyl]ethanamine is CC(F)Cc1cccc(CCN)c1.
What is the InChIKey of 2-[3-(2-fluoropropyl)phenyl]ethanamine?
The InChIKey is HWTYCETZUSDPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(12)7-11-4-2-3-10(8-11)5-6-13/h2-4,8-9H,5-7,13H2,1H3.
What are the key properties of 2-[3-(2-fluoropropyl)phenyl]ethanamine?
2-[3-(2-fluoropropyl)phenyl]ethanamine has a molecular weight of 181.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoropropyl)phenyl]ethanamine is sourced from PubChem (CID 84658162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).