1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

C14H11Cl3FN — CID 115851434

IUPAC1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C14H11Cl3FN/c1-19-14(8-4-2-6-10(16)13(8)17)12-9(15)5-3-7-11(12)18/h2-7,14,19H,1H3
InChIKeyBHMMYAFACCGBKC-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.09
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (PubChem CID 115851434) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
PubChem CID115851434
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C14H11Cl3FN/c1-19-14(8-4-2-6-10(16)13(8)17)12-9(15)5-3-7-11(12)18/h2-7,14,19H,1H3
InChIKeyBHMMYAFACCGBKC-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
1-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025147
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
1-(2-chloro-6-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724607
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483251
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2,3-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724980
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (CID 115851434) is 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1Cl)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The InChIKey is BHMMYAFACCGBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c1-19-14(8-4-2-6-10(16)13(8)17)12-9(15)5-3-7-11(12)18/h2-7,14,19H,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.09, 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)-1-(2,3-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115851434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).