1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride

C10H11ClFNO — CID 170311753

IUPAC1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride
SMILESCC(N)c1cccc2c(F)coc12.Cl
InChIInChI=1S/C10H10FNO.ClH/c1-6(12)7-3-2-4-8-9(11)5-13-10(7)8;/h2-6H,12H2,1H3;1H
InChIKeyPMTGIIKZBBJSFA-UHFFFAOYSA-N
MW215.66 g/mol
LogP3.01
Rot. Bonds1

About 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride

1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride (PubChem CID 170311753) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride
PubChem CID170311753
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride
SMILESCC(N)c1cccc2c(F)coc12.Cl
InChIInChI=1S/C10H10FNO.ClH/c1-6(12)7-3-2-4-8-9(11)5-13-10(7)8;/h2-6H,12H2,1H3;1H
InChIKeyPMTGIIKZBBJSFA-UHFFFAOYSA-N
XLogP3.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
CID 105487507
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
CID 174983954
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
3-[(1S)-1-aminoethyl]-2-fluorobenzonitrile;hydrochloride
CID 168966472
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
CID 84669941
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82448872

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride (CID 170311753) is 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride is CC(N)c1cccc2c(F)coc12.Cl.
What is the InChIKey of 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride?
The InChIKey is PMTGIIKZBBJSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO.ClH/c1-6(12)7-3-2-4-8-9(11)5-13-10(7)8;/h2-6H,12H2,1H3;1H.
What are the key properties of 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride?
1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride has a molecular weight of 215.66 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride is sourced from PubChem (CID 170311753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).