1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine

C16H17F2NO — CID 79724225

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H17F2NO/c1-10-7-12(14(18)9-13(10)17)15(19)8-11-5-3-4-6-16(11)20-2/h3-7,9,15H,8,19H2,1-2H3
InChIKeyCDDYNEWZZIDLBY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine

1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 79724225) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
PubChem CID79724225
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H17F2NO/c1-10-7-12(14(18)9-13(10)17)15(19)8-11-5-3-4-6-16(11)20-2/h3-7,9,15H,8,19H2,1-2H3
InChIKeyCDDYNEWZZIDLBY-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine (CID 79724225) is 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is CDDYNEWZZIDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-12(14(18)9-13(10)17)15(19)8-11-5-3-4-6-16(11)20-2/h3-7,9,15H,8,19H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 79724225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).