1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine

C17H20FNO — CID 105035625

IUPAC1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCCc1ccccc1C(N)Cc1cccc(OC)c1F
InChIInChI=1S/C17H20FNO/c1-3-12-7-4-5-9-14(12)15(19)11-13-8-6-10-16(20-2)17(13)18/h4-10,15H,3,11,19H2,1-2H3
InChIKeyDLUOHHYACWFLFB-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine

1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 105035625) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID105035625
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCCc1ccccc1C(N)Cc1cccc(OC)c1F
InChIInChI=1S/C17H20FNO/c1-3-12-7-4-5-9-14(12)15(19)11-13-8-6-10-16(20-2)17(13)18/h4-10,15H,3,11,19H2,1-2H3
InChIKeyDLUOHHYACWFLFB-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
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
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (CID 105035625) is 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is CCc1ccccc1C(N)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is DLUOHHYACWFLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-12-7-4-5-9-14(12)15(19)11-13-8-6-10-16(20-2)17(13)18/h4-10,15H,3,11,19H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 105035625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).