1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine

C15H15F2NO — CID 62787473

IUPAC1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)(N)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-15(18,10-4-3-5-14(8-10)19-2)11-6-12(16)9-13(17)7-11/h3-9H,18H2,1-2H3
InChIKeyMRSNUDYEHQWIOJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.20
Rot. Bonds3

About 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine

1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 62787473) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID62787473
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)(N)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-15(18,10-4-3-5-14(8-10)19-2)11-6-12(16)9-13(17)7-11/h3-9H,18H2,1-2H3
InChIKeyMRSNUDYEHQWIOJ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
CID 150215237
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 62916529
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine (CID 62787473) is 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)(N)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is MRSNUDYEHQWIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-15(18,10-4-3-5-14(8-10)19-2)11-6-12(16)9-13(17)7-11/h3-9H,18H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine?
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 62787473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).