2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine

C15H15F2N — CID 114347619

IUPAC2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1cccc(F)c1
InChIInChI=1S/C15H15F2N/c1-10-7-14(17)6-5-11(10)9-15(18)12-3-2-4-13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyIQCFYJVDKCXCPX-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine

2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 114347619) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
PubChem CID114347619
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1cccc(F)c1
InChIInChI=1S/C15H15F2N/c1-10-7-14(17)6-5-11(10)9-15(18)12-3-2-4-13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyIQCFYJVDKCXCPX-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051021
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 105092976
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine (CID 114347619) is 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1cccc(F)c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is IQCFYJVDKCXCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-7-14(17)6-5-11(10)9-15(18)12-3-2-4-13(16)8-12/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine?
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 114347619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).