2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

C16H17F2NO — CID 62606417

IUPAC2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1cccc(OC)c1
InChIInChI=1S/C16H17F2NO/c1-19-15(11-5-3-7-13(9-11)20-2)10-12-6-4-8-14(17)16(12)18/h3-9,15,19H,10H2,1-2H3
InChIKeyQIBFFZNTNFHHOH-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.48
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 62606417) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID62606417
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1cccc(OC)c1
InChIInChI=1S/C16H17F2NO/c1-19-15(11-5-3-7-13(9-11)20-2)10-12-6-4-8-14(17)16(12)18/h3-9,15,19H,10H2,1-2H3
InChIKeyQIBFFZNTNFHHOH-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
[2-(2,3-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105256977
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026123
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 62606417) is 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1F)c1cccc(OC)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is QIBFFZNTNFHHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19-15(11-5-3-7-13(9-11)20-2)10-12-6-4-8-14(17)16(12)18/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62606417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).