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

C17H20FN — CID 105377287

IUPAC1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cccc(C)c1C
InChIInChI=1S/C17H20FN/c1-11-5-4-6-16(13(11)3)17(19)10-14-9-15(18)8-7-12(14)2/h4-9,17H,10,19H2,1-3H3
InChIKeySNFKTHUKEWQTQH-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.99
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105377287) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105377287
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cccc(C)c1C
InChIInChI=1S/C17H20FN/c1-11-5-4-6-16(13(11)3)17(19)10-14-9-15(18)8-7-12(14)2/h4-9,17H,10,19H2,1-3H3
InChIKeySNFKTHUKEWQTQH-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

1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377270
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105377287) is 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is SNFKTHUKEWQTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-5-4-6-16(13(11)3)17(19)10-14-9-15(18)8-7-12(14)2/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-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 1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105377287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).