1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

C18H22FN — CID 43484259

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22FN/c1-11-8-13(3)17(14(4)9-11)18(20-5)15-7-6-12(2)16(19)10-15/h6-10,18,20H,1-5H3
InChIKeyJUBLANUWCOQCRI-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.37
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 43484259) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID43484259
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22FN/c1-11-8-13(3)17(14(4)9-11)18(20-5)15-7-6-12(2)16(19)10-15/h6-10,18,20H,1-5H3
InChIKeyJUBLANUWCOQCRI-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 ≤ 500271.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 107130966
1-(3,4-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883897
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
[(3-fluoro-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682690
1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483467
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 107130126

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (CID 43484259) is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1ccc(C)c(F)c1)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is JUBLANUWCOQCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-11-8-13(3)17(14(4)9-11)18(20-5)15-7-6-12(2)16(19)10-15/h6-10,18,20H,1-5H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 271.38 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-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 43484259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).