1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

C14H10ClF4N — CID 43483251

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClF4N/c1-20-14(12-8(15)3-2-4-9(12)17)13-10(18)5-7(16)6-11(13)19/h2-6,14,20H,1H3
InChIKeyIFHDVUKFDHUEFA-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.21
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43483251) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID43483251
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClF4N/c1-20-14(12-8(15)3-2-4-9(12)17)13-10(18)5-7(16)6-11(13)19/h2-6,14,20H,1H3
InChIKeyIFHDVUKFDHUEFA-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 115851434
1-(2-chloro-6-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724607
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127
1-(2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483217
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
1-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025147
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 103215327

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (CID 43483251) is 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1c(F)cc(F)cc1F)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is IFHDVUKFDHUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c1-20-14(12-8(15)3-2-4-9(12)17)13-10(18)5-7(16)6-11(13)19/h2-6,14,20H,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 303.69 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).