1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine

C15H15F2N — CID 62789032

IUPAC1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)c2ccccc2F)c1
InChIInChI=1S/C15H15F2N/c1-10-7-8-14(17)12(9-10)15(2,18)11-5-3-4-6-13(11)16/h3-9H,18H2,1-2H3
InChIKeyIXRSFBWHCIDZLB-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.50
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine

1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine (PubChem CID 62789032) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
PubChem CID62789032
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)c2ccccc2F)c1
InChIInChI=1S/C15H15F2N/c1-10-7-8-14(17)12(9-10)15(2,18)11-5-3-4-6-13(11)16/h3-9H,18H2,1-2H3
InChIKeyIXRSFBWHCIDZLB-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55116362
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
1-(2,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62801145
2-(2-fluoro-5-methylphenyl)butan-2-amine
CID 62791444
1-(2,5-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963750
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 82235884
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
2-(1,1-dimethoxyethyl)-1-fluoro-4-methylbenzene
CID 154930611
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)butanenitrile
CID 130695934
1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
CID 55120280

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine (CID 62789032) is 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine is Cc1ccc(F)c(C(C)(N)c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is IXRSFBWHCIDZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-7-8-14(17)12(9-10)15(2,18)11-5-3-4-6-13(11)16/h3-9H,18H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine?
1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 62789032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).