1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine

C15H16FNO — CID 65434992

IUPAC1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
SMILESCOc1cccc(F)c1C(N)Cc1ccccc1
InChIInChI=1S/C15H16FNO/c1-18-14-9-5-8-12(16)15(14)13(17)10-11-6-3-2-4-7-11/h2-9,13H,10,17H2,1H3
InChIKeyGIYARMIQZOGEKY-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine

1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine (PubChem CID 65434992) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
PubChem CID65434992
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
SMILESCOc1cccc(F)c1C(N)Cc1ccccc1
InChIInChI=1S/C15H16FNO/c1-18-14-9-5-8-12(16)15(14)13(17)10-11-6-3-2-4-7-11/h2-9,13H,10,17H2,1H3
InChIKeyGIYARMIQZOGEKY-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine
CID 115803058
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261422
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine (CID 65434992) is 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine is COc1cccc(F)c1C(N)Cc1ccccc1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine?
The InChIKey is GIYARMIQZOGEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-18-14-9-5-8-12(16)15(14)13(17)10-11-6-3-2-4-7-11/h2-9,13H,10,17H2,1H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine?
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 65434992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).