1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

C18H22FN — CID 105373685

IUPAC1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(F)ccc2C)NC)cc1
InChIInChI=1S/C18H22FN/c1-4-14-6-8-15(9-7-14)18(20-3)12-16-11-17(19)10-5-13(16)2/h5-11,18,20H,4,12H2,1-3H3
InChIKeyWXVWBNMFVAIUDO-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105373685) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105373685
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(F)ccc2C)NC)cc1
InChIInChI=1S/C18H22FN/c1-4-14-6-8-15(9-7-14)18(20-3)12-16-11-17(19)10-5-13(16)2/h5-11,18,20H,4,12H2,1-3H3
InChIKeyWXVWBNMFVAIUDO-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
CID 105373840
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 63419902
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 105373685) is 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CCc1ccc(C(Cc2cc(F)ccc2C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is WXVWBNMFVAIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-14-6-8-15(9-7-14)18(20-3)12-16-11-17(19)10-5-13(16)2/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105373685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).