1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C18H22FN — CID 62549311

IUPAC1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-12-9-13(2)17(14(3)10-12)11-18(20-4)15-5-7-16(19)8-6-15/h5-10,18,20H,11H2,1-4H3
InChIKeyPQSJPCJRQIZQJH-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62549311) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62549311
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-12-9-13(2)17(14(3)10-12)11-18(20-4)15-5-7-16(19)8-6-15/h5-10,18,20H,11H2,1-4H3
InChIKeyPQSJPCJRQIZQJH-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63416549
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-[3-chloro-2-(4-fluorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79437417
N-methyl-1-(2-methyl-4-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106755047
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
1-(4-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447073
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 62549311) is 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is PQSJPCJRQIZQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-9-13(2)17(14(3)10-12)11-18(20-4)15-5-7-16(19)8-6-15/h5-10,18,20H,11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62549311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).