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

C16H17F2N — CID 65298904

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(F)cc2)cc(C)c1F
InChIInChI=1S/C16H17F2N/c1-10-7-13(8-11(2)16(10)18)15(19)9-12-3-5-14(17)6-4-12/h3-8,15H,9,19H2,1-2H3
InChIKeyZTRLFYLEGOBFIU-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.82
Rot. Bonds3

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

1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 65298904) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID65298904
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(F)cc2)cc(C)c1F
InChIInChI=1S/C16H17F2N/c1-10-7-13(8-11(2)16(10)18)15(19)9-12-3-5-14(17)6-4-12/h3-8,15H,9,19H2,1-2H3
InChIKeyZTRLFYLEGOBFIU-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65296774
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (CID 65298904) is 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is Cc1cc(C(N)Cc2ccc(F)cc2)cc(C)c1F.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is ZTRLFYLEGOBFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-7-13(8-11(2)16(10)18)15(19)9-12-3-5-14(17)6-4-12/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 65298904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).