2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine

C13H13ClFNO — CID 61080026

IUPAC2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-16-12(13-6-3-7-17-13)8-9-10(14)4-2-5-11(9)15/h2-7,12,16H,8H2,1H3
InChIKeyXBEOVJIAEKTUFB-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine

2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine (PubChem CID 61080026) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
PubChem CID61080026
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-16-12(13-6-3-7-17-13)8-9-10(14)4-2-5-11(9)15/h2-7,12,16H,8H2,1H3
InChIKeyXBEOVJIAEKTUFB-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
2-(2-chloro-6-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503364
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 43484891
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine (CID 61080026) is 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine is CNC(Cc1c(F)cccc1Cl)c1ccco1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The InChIKey is XBEOVJIAEKTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-16-12(13-6-3-7-17-13)8-9-10(14)4-2-5-11(9)15/h2-7,12,16H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine has a molecular weight of 253.70 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 61080026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).