2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine

C15H13ClF3N — CID 61079857

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H13ClF3N/c1-20-14(15-12(18)6-3-7-13(15)19)8-9-10(16)4-2-5-11(9)17/h2-7,14,20H,8H2,1H3
InChIKeyNVMUCTHHXDMROM-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.26
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine

2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine (PubChem CID 61079857) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
PubChem CID61079857
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H13ClF3N/c1-20-14(15-12(18)6-3-7-13(15)19)8-9-10(16)4-2-5-11(9)17/h2-7,14,20H,8H2,1H3
InChIKeyNVMUCTHHXDMROM-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-(furan-2-yl)-N-methylethanamine
CID 61080026
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
1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830097
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 43486905
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
1-(2-chloro-4,5-difluorophenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 107476197

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine (CID 61079857) is 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine is CNC(Cc1c(F)cccc1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
The InChIKey is NVMUCTHHXDMROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-14(15-12(18)6-3-7-13(15)19)8-9-10(16)4-2-5-11(9)17/h2-7,14,20H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61079857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).