2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine

C13H13ClFNO — CID 112653682

IUPAC2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-16-11(12-6-3-7-17-12)8-9-4-2-5-10(15)13(9)14/h2-7,11,16H,8H2,1H3
InChIKeyOYYGSAPCVPHUHZ-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine

2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine (PubChem CID 112653682) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
PubChem CID112653682
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-16-11(12-6-3-7-17-12)8-9-4-2-5-10(15)13(9)14/h2-7,11,16H,8H2,1H3
InChIKeyOYYGSAPCVPHUHZ-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-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
CID 105373840
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine (CID 112653682) is 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1ccco1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
The InChIKey is OYYGSAPCVPHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-16-11(12-6-3-7-17-12)8-9-4-2-5-10(15)13(9)14/h2-7,11,16H,8H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine?
2-(2-chloro-3-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-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 112653682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).