1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine

C13H12ClF2NO — CID 106687910

IUPAC1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccoc1Cl
InChIInChI=1S/C13H12ClF2NO/c1-17-11(9-5-6-18-13(9)14)7-8-3-2-4-10(15)12(8)16/h2-6,11,17H,7H2,1H3
InChIKeyPVXZSYLKXDQGCR-UHFFFAOYSA-N
MW271.69 g/mol
LogP3.71
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine

1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine (PubChem CID 106687910) has the molecular formula C13H12ClF2NO and a molecular weight of 271.69 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
PubChem CID106687910
Molecular FormulaC13H12ClF2NO
Molecular Weight271.69 g/mol
Exact Mass271.06
IUPAC Name1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccoc1Cl
InChIInChI=1S/C13H12ClF2NO/c1-17-11(9-5-6-18-13(9)14)7-8-3-2-4-10(15)12(8)16/h2-6,11,17H,7H2,1H3
InChIKeyPVXZSYLKXDQGCR-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine (CID 106687910) is 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1F)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The InChIKey is PVXZSYLKXDQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NO/c1-17-11(9-5-6-18-13(9)14)7-8-3-2-4-10(15)12(8)16/h2-6,11,17H,7H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine?
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine has a molecular weight of 271.69 g/mol, XLogP of 3.71, 4 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-(2,3-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 106687910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).