2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

C16H17F2NO — CID 61496504

IUPAC2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cccc(OC)c1
InChIInChI=1S/C16H17F2NO/c1-19-16(12-4-3-5-15(9-12)20-2)8-11-6-13(17)10-14(18)7-11/h3-7,9-10,16,19H,8H2,1-2H3
InChIKeyZDKOGUUVKIPQKZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.48
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 61496504) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID61496504
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cccc(OC)c1
InChIInChI=1S/C16H17F2NO/c1-19-16(12-4-3-5-15(9-12)20-2)8-11-6-13(17)10-14(18)7-11/h3-7,9-10,16,19H,8H2,1-2H3
InChIKeyZDKOGUUVKIPQKZ-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-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 105412582
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 61496504) is 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cccc(OC)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is ZDKOGUUVKIPQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19-16(12-4-3-5-15(9-12)20-2)8-11-6-13(17)10-14(18)7-11/h3-7,9-10,16,19H,8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(3,5-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-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 61496504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).