1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine

C17H19F2NO — CID 103906175

IUPAC1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1C(C)NC(C)c1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-11(13-7-4-5-10-16(13)21-3)20-12(2)14-8-6-9-15(18)17(14)19/h4-12,20H,1-3H3
InChIKeyJSBKDFRBSTYPEG-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.39
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine

1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine (PubChem CID 103906175) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
PubChem CID103906175
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1C(C)NC(C)c1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-11(13-7-4-5-10-16(13)21-3)20-12(2)14-8-6-9-15(18)17(14)19/h4-12,20H,1-3H3
InChIKeyJSBKDFRBSTYPEG-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388525
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine (CID 103906175) is 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine is COc1ccccc1C(C)NC(C)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine?
The InChIKey is JSBKDFRBSTYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11(13-7-4-5-10-16(13)21-3)20-12(2)14-8-6-9-15(18)17(14)19/h4-12,20H,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine?
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 103906175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).