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

C18H22FN — CID 81477388

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cccc(C)c1F)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22FN/c1-11-9-13(3)16(14(4)10-11)18(20-5)15-8-6-7-12(2)17(15)19/h6-10,18,20H,1-5H3
InChIKeyJFLYZAKBPWRYIO-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.37
Rot. Bonds3

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

1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 81477388) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID81477388
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cccc(C)c1F)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H22FN/c1-11-9-13(3)16(14(4)10-11)18(20-5)15-8-6-7-12(2)17(15)19/h6-10,18,20H,1-5H3
InChIKeyJFLYZAKBPWRYIO-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

1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562
N-methyl-1-(2,4,5-trimethylphenyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 104990389
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(3-chloro-2-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 81267785
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81477386
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43626284

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (CID 81477388) is 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1cccc(C)c1F)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is JFLYZAKBPWRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-11-9-13(3)16(14(4)10-11)18(20-5)15-8-6-7-12(2)17(15)19/h6-10,18,20H,1-5H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
1-(2-fluoro-3-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-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 81477388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).