2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine

C17H20FN — CID 105373660

IUPAC2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C17H20FN/c1-12-4-7-14(8-5-12)17(19-3)11-15-10-16(18)9-6-13(15)2/h4-10,17,19H,11H2,1-3H3
InChIKeyWDIYEYVZTCMJRX-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.95
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 105373660) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID105373660
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C17H20FN/c1-12-4-7-14(8-5-12)17(19-3)11-15-10-16(18)9-6-13(15)2/h4-10,17,19H,11H2,1-3H3
InChIKeyWDIYEYVZTCMJRX-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 105373660) is 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine is CNC(Cc1cc(F)ccc1C)c1ccc(C)cc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is WDIYEYVZTCMJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-4-7-14(8-5-12)17(19-3)11-15-10-16(18)9-6-13(15)2/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 105373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).