2-(2-fluorophenoxy)propan-1-amine;hydrochloride

C9H13ClFNO — CID 86262696

IUPAC2-(2-fluorophenoxy)propan-1-amine;hydrochloride
SMILESCC(CN)Oc1ccccc1F.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-7(6-11)12-9-5-3-2-4-8(9)10;/h2-5,7H,6,11H2,1H3;1H
InChIKeyCYGCEWRPIBIKSV-UHFFFAOYSA-N
MW205.66 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-fluorophenoxy)propan-1-amine;hydrochloride

2-(2-fluorophenoxy)propan-1-amine;hydrochloride (PubChem CID 86262696) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenoxy)propan-1-amine;hydrochloride
PubChem CID86262696
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name2-(2-fluorophenoxy)propan-1-amine;hydrochloride
SMILESCC(CN)Oc1ccccc1F.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-7(6-11)12-9-5-3-2-4-8(9)10;/h2-5,7H,6,11H2,1H3;1H
InChIKeyCYGCEWRPIBIKSV-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylsulfanylphenoxy)propan-1-amine
CID 63648328
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
1-(2-fluorophenoxy)ethanethiol
CID 166973393
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene
CID 84773332
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
CID 134448627
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)propan-1-amine;hydrochloride?
The IUPAC name of 2-(2-fluorophenoxy)propan-1-amine;hydrochloride (CID 86262696) is 2-(2-fluorophenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(2-fluorophenoxy)propan-1-amine;hydrochloride is CC(CN)Oc1ccccc1F.Cl.
What is the InChIKey of 2-(2-fluorophenoxy)propan-1-amine;hydrochloride?
The InChIKey is CYGCEWRPIBIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c1-7(6-11)12-9-5-3-2-4-8(9)10;/h2-5,7H,6,11H2,1H3;1H.
What are the key properties of 2-(2-fluorophenoxy)propan-1-amine;hydrochloride?
2-(2-fluorophenoxy)propan-1-amine;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 86262696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).