1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

C15H13ClF3NO — CID 43483201

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1cc(Cl)ccc1OC)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H13ClF3NO/c1-20-15(10-5-8(16)3-4-13(10)21-2)14-11(18)6-9(17)7-12(14)19/h3-7,15,20H,1-2H3
InChIKeyUZJGFKJHXBIPPC-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.07
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43483201) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID43483201
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1cc(Cl)ccc1OC)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H13ClF3NO/c1-20-15(10-5-8(16)3-4-13(10)21-2)14-11(18)6-9(17)7-12(14)19/h3-7,15,20H,1-2H3
InChIKeyUZJGFKJHXBIPPC-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(5-chloro-2-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60964483
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105006971
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (CID 43483201) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1cc(Cl)ccc1OC)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is UZJGFKJHXBIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20-15(10-5-8(16)3-4-13(10)21-2)14-11(18)6-9(17)7-12(14)19/h3-7,15,20H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 315.72 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43483201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).