2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine

C17H20FN — CID 115800392

IUPAC2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccc(C)cc2F)c1
InChIInChI=1S/C17H20FN/c1-11-4-5-15(16(18)9-11)17(19)10-14-7-12(2)6-13(3)8-14/h4-9,17H,10,19H2,1-3H3
InChIKeyWURUUAPNOOBLFV-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.99
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine

2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine (PubChem CID 115800392) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
PubChem CID115800392
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccc(C)cc2F)c1
InChIInChI=1S/C17H20FN/c1-11-4-5-15(16(18)9-11)17(19)10-14-7-12(2)6-13(3)8-14/h4-9,17H,10,19H2,1-3H3
InChIKeyWURUUAPNOOBLFV-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 107513293
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
CID 105028201
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine (CID 115800392) is 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2ccc(C)cc2F)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The InChIKey is WURUUAPNOOBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-4-5-15(16(18)9-11)17(19)10-14-7-12(2)6-13(3)8-14/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine?
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 115800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).