1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

C15H13ClF3NO — CID 62789375

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

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (PubChem CID 62789375) 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-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
PubChem CID62789375
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H13ClF3NO/c1-20-15(8-5-11(17)14(19)12(18)6-8)10-7-9(16)3-4-13(10)21-2/h3-7,15,20H,1-2H3
InChIKeyXMPROGLJHQRHGZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483201
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
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-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (CID 62789375) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is CNC(c1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is XMPROGLJHQRHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20-15(8-5-11(17)14(19)12(18)6-8)10-7-9(16)3-4-13(10)21-2/h3-7,15,20H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-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-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 62789375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).