1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine

C16H13ClFNO — CID 103049047

IUPAC1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1coc2ccccc12
InChIInChI=1S/C16H13ClFNO/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,9,15H,8,19H2
InChIKeyUEWTTWOBEJQOOR-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.47
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine

1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine (PubChem CID 103049047) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
PubChem CID103049047
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1coc2ccccc12
InChIInChI=1S/C16H13ClFNO/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,9,15H,8,19H2
InChIKeyUEWTTWOBEJQOOR-UHFFFAOYSA-N
XLogP4.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
2-(5-chloro-2-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128470
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
1-(4-chloronaphthalen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 79591908

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine (CID 103049047) is 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine is NC(Cc1cc(Cl)ccc1F)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The InChIKey is UEWTTWOBEJQOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,9,15H,8,19H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine has a molecular weight of 289.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 103049047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).