1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

C18H22FN — CID 106883501

IUPAC1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H22FN/c1-11-6-12(2)9-15(8-11)18(20-5)17-14(4)7-13(3)10-16(17)19/h6-10,18,20H,1-5H3
InChIKeyWINJZZOQTQMRNS-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.37
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106883501) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106883501
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H22FN/c1-11-6-12(2)9-15(8-11)18(20-5)17-14(4)7-13(3)10-16(17)19/h6-10,18,20H,1-5H3
InChIKeyWINJZZOQTQMRNS-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-(3,4-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883897
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797203
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883546
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
[(3-bromo-5-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884654
1-(1-benzofuran-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881512
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106882068
1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881958
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883974
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (CID 106883501) is 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WINJZZOQTQMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-11-6-12(2)9-15(8-11)18(20-5)17-14(4)7-13(3)10-16(17)19/h6-10,18,20H,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine 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-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106883501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).