2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine

C18H22FNO — CID 105035571

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2c(C)cc(C)cc2C)c1F
InChIInChI=1S/C18H22FNO/c1-11-8-12(2)17(13(3)9-11)15(20)10-14-6-5-7-16(21-4)18(14)19/h5-9,15H,10,20H2,1-4H3
InChIKeyRQSRVDKJGUQKQE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 105035571) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID105035571
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2c(C)cc(C)cc2C)c1F
InChIInChI=1S/C18H22FNO/c1-11-8-12(2)17(13(3)9-11)15(20)10-14-6-5-7-16(21-4)18(14)19/h5-9,15H,10,20H2,1-4H3
InChIKeyRQSRVDKJGUQKQE-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682264
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680598
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035605
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 105035571) is 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine is COc1cccc(CC(N)c2c(C)cc(C)cc2C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is RQSRVDKJGUQKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-11-8-12(2)17(13(3)9-11)15(20)10-14-6-5-7-16(21-4)18(14)19/h5-9,15H,10,20H2,1-4H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 105035571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).