1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine

C16H16F3N — CID 105051267

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-9-3-6-13(18)15(16(9)19)14(20)8-11-4-5-12(17)7-10(11)2/h3-7,14H,8,20H2,1-2H3
InChIKeyQNIVTZFCNUSOJW-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.96
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine

1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105051267) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105051267
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-9-3-6-13(18)15(16(9)19)14(20)8-11-4-5-12(17)7-10(11)2/h3-7,14H,8,20H2,1-2H3
InChIKeyQNIVTZFCNUSOJW-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
[1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105223092
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105051267) is 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is QNIVTZFCNUSOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-9-3-6-13(18)15(16(9)19)14(20)8-11-4-5-12(17)7-10(11)2/h3-7,14H,8,20H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105051267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).