1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine

C15H15F2NO — CID 61034522

IUPAC1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
SMILESCOc1cc(F)c(-c2ccc(C(C)N)cc2)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-9(18)10-3-5-11(6-4-10)15-13(16)7-12(19-2)8-14(15)17/h3-9H,18H2,1-2H3
InChIKeyBBWBSVUVQKNSOY-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.66
Rot. Bonds3

About 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine

1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine (PubChem CID 61034522) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
PubChem CID61034522
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
SMILESCOc1cc(F)c(-c2ccc(C(C)N)cc2)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-9(18)10-3-5-11(6-4-10)15-13(16)7-12(19-2)8-14(15)17/h3-9H,18H2,1-2H3
InChIKeyBBWBSVUVQKNSOY-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
CID 106882206
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine (CID 61034522) is 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine is COc1cc(F)c(-c2ccc(C(C)N)cc2)c(F)c1.
What is the InChIKey of 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine?
The InChIKey is BBWBSVUVQKNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9(18)10-3-5-11(6-4-10)15-13(16)7-12(19-2)8-14(15)17/h3-9H,18H2,1-2H3.
What are the key properties of 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine?
1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 61034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).