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

C17H19F2N — CID 64989656

IUPAC1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N/c1-10-7-12(3)14(8-11(10)2)17(20-4)15-9-13(18)5-6-16(15)19/h5-9,17,20H,1-4H3
InChIKeyJPFVZUBDYUHXMM-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.20
Rot. Bonds3

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

1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64989656) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64989656
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N/c1-10-7-12(3)14(8-11(10)2)17(20-4)15-9-13(18)5-6-16(15)19/h5-9,17,20H,1-4H3
InChIKeyJPFVZUBDYUHXMM-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

1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 107981875
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
CID 105143857
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990056
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 64989656) is 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(C)c(C)cc1C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is JPFVZUBDYUHXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-10-7-12(3)14(8-11(10)2)17(20-4)15-9-13(18)5-6-16(15)19/h5-9,17,20H,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(2,5-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-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64989656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).