1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine

C15H15F2NO — CID 61079796

IUPAC1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-19-14-4-2-10(3-5-14)6-15(18)11-7-12(16)9-13(17)8-11/h2-5,7-9,15H,6,18H2,1H3
InChIKeyYBKCBIAYXOVPEJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.22
Rot. Bonds4

About 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine

1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 61079796) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID61079796
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-19-14-4-2-10(3-5-14)6-15(18)11-7-12(16)9-13(17)8-11/h2-5,7-9,15H,6,18H2,1H3
InChIKeyYBKCBIAYXOVPEJ-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 43093642
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
[2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105206699
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine (CID 61079796) is 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is YBKCBIAYXOVPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-19-14-4-2-10(3-5-14)6-15(18)11-7-12(16)9-13(17)8-11/h2-5,7-9,15H,6,18H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine?
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 61079796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).