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

C17H20FNO — CID 81304819

IUPAC2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cc(C)cc(C)c2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-11-6-12(2)8-13(7-11)9-17(19)15-5-4-14(20-3)10-16(15)18/h4-8,10,17H,9,19H2,1-3H3
InChIKeyRWQFRLRIZUHZMV-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.69
Rot. Bonds4

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

2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 81304819) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
PubChem CID81304819
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cc(C)cc(C)c2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-11-6-12(2)8-13(7-11)9-17(19)15-5-4-14(20-3)10-16(15)18/h4-8,10,17H,9,19H2,1-3H3
InChIKeyRWQFRLRIZUHZMV-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

1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 102883534
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine (CID 81304819) is 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2cc(C)cc(C)c2)c(F)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is RWQFRLRIZUHZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-6-12(2)8-13(7-11)9-17(19)15-5-4-14(20-3)10-16(15)18/h4-8,10,17H,9,19H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine?
2-(3,5-dimethylphenyl)-1-(2-fluoro-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 2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81304819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).