1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

C17H20FN — CID 105016630

IUPAC1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C17H20FN/c1-4-13-7-5-6-8-16(13)17(19-3)14-9-12(2)10-15(18)11-14/h5-11,17,19H,4H2,1-3H3
InChIKeyCOMIPNVGUGTHSD-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.01
Rot. Bonds4

About 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 105016630) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID105016630
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C17H20FN/c1-4-13-7-5-6-8-16(13)17(19-3)14-9-12(2)10-15(18)11-14/h5-11,17,19H,4H2,1-3H3
InChIKeyCOMIPNVGUGTHSD-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022752
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
(3,5-difluorophenyl)-(2-ethylphenyl)methanamine
CID 115851700
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 115799898
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (CID 105016630) is 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is CCc1ccccc1C(NC)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is COMIPNVGUGTHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-13-7-5-6-8-16(13)17(19-3)14-9-12(2)10-15(18)11-14/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105016630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).