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

C17H18F3N — CID 64990056

IUPACN-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(F)c(F)c(F)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H18F3N/c1-9-5-11(3)13(6-10(9)2)17(21-4)12-7-14(18)16(20)15(19)8-12/h5-8,17,21H,1-4H3
InChIKeyRTEPVQICFILVHM-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.34
Rot. Bonds3

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

N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64990056) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64990056
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(F)c(F)c(F)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H18F3N/c1-9-5-11(3)13(6-10(9)2)17(21-4)12-7-14(18)16(20)15(19)8-12/h5-8,17,21H,1-4H3
InChIKeyRTEPVQICFILVHM-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989656
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline
CID 116952114
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
N-methyl-1-(2,4,5-trimethylphenyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 104990389
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine (CID 64990056) is N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(F)c(F)c(F)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is RTEPVQICFILVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-9-5-11(3)13(6-10(9)2)17(21-4)12-7-14(18)16(20)15(19)8-12/h5-8,17,21H,1-4H3.
What are the key properties of N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine?
N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 293.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64990056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).