1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine

C17H20FNO — CID 106877505

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2c(C)cc(F)cc2C)cc1
InChIInChI=1S/C17H20FNO/c1-11-8-14(18)9-12(2)17(11)16(19)10-13-4-6-15(20-3)7-5-13/h4-9,16H,10,19H2,1-3H3
InChIKeyZNIKNHNNFUDELS-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine

1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 106877505) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID106877505
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2c(C)cc(F)cc2C)cc1
InChIInChI=1S/C17H20FNO/c1-11-8-14(18)9-12(2)17(11)16(19)10-13-4-6-15(20-3)7-5-13/h4-9,16H,10,19H2,1-3H3
InChIKeyZNIKNHNNFUDELS-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine (CID 106877505) is 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2c(C)cc(F)cc2C)cc1.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is ZNIKNHNNFUDELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-8-14(18)9-12(2)17(11)16(19)10-13-4-6-15(20-3)7-5-13/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 106877505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).