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

C17H19F2N — CID 64990005

IUPAC1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(F)cc(F)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H19F2N/c1-10-5-12(3)16(6-11(10)2)17(20-4)13-7-14(18)9-15(19)8-13/h5-9,17,20H,1-4H3
InChIKeySVSQOTZIKBNGQL-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.20
Rot. Bonds3

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

1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64990005) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64990005
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(F)cc(F)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H19F2N/c1-10-5-12(3)16(6-11(10)2)17(20-4)13-7-14(18)9-15(19)8-13/h5-9,17,20H,1-4H3
InChIKeySVSQOTZIKBNGQL-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990056
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989656
(3,5-difluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64990191
N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline
CID 116952114
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
N-methyl-1-(2,4,5-trimethylphenyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 104990389

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 64990005) is 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(F)cc(F)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is SVSQOTZIKBNGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-10-5-12(3)16(6-11(10)2)17(20-4)13-7-14(18)9-15(19)8-13/h5-9,17,20H,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 275.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).