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

C15H13ClF3N — CID 103302453

IUPAC1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H13ClF3N/c1-8-3-4-9(5-11(8)16)15(20-2)10-6-13(18)14(19)7-12(10)17/h3-7,15,20H,1-2H3
InChIKeyZJZSRHSWBXFEPZ-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.37
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103302453) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
PubChem CID103302453
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H13ClF3N/c1-8-3-4-9(5-11(8)16)15(20-2)10-6-13(18)14(19)7-12(10)17/h3-7,15,20H,1-2H3
InChIKeyZJZSRHSWBXFEPZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912
N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561868
1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
CID 107476135
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435225
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (CID 103302453) is 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is CNC(c1ccc(C)c(Cl)c1)c1cc(F)c(F)cc1F.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is ZJZSRHSWBXFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-8-3-4-9(5-11(8)16)15(20-2)10-6-13(18)14(19)7-12(10)17/h3-7,15,20H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 299.72 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103302453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).