1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine

C12H11ClFNO — CID 106687760

IUPAC1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)c1ccoc1Cl
InChIInChI=1S/C12H11ClFNO/c13-12-9(5-6-16-12)11(15)7-8-3-1-2-4-10(8)14/h1-6,11H,7,15H2
InChIKeyLPVDKJULFMIWJO-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.31
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine

1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 106687760) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID106687760
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)c1ccoc1Cl
InChIInChI=1S/C12H11ClFNO/c13-12-9(5-6-16-12)11(15)7-8-3-1-2-4-10(8)14/h1-6,11H,7,15H2
InChIKeyLPVDKJULFMIWJO-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 114103103
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(4-chloronaphthalen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 79591908
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832102
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 103049047
2-(2-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105090092
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine (CID 106687760) is 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is LPVDKJULFMIWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-12-9(5-6-16-12)11(15)7-8-3-1-2-4-10(8)14/h1-6,11H,7,15H2.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine?
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 239.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 106687760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).