1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine

C16H17F2NO — CID 82814680

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-10-6-7-13(17)15(16(10)18)14(19)9-11-4-3-5-12(8-11)20-2/h3-8,14H,9,19H2,1-2H3
InChIKeyAISBOIPDNACQCZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine

1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 82814680) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID82814680
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-10-6-7-13(17)15(16(10)18)14(19)9-11-4-3-5-12(8-11)20-2/h3-8,14H,9,19H2,1-2H3
InChIKeyAISBOIPDNACQCZ-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-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 105373754
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
4-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63543522

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine (CID 82814680) is 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2c(F)ccc(C)c2F)c1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is AISBOIPDNACQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-6-7-13(17)15(16(10)18)14(19)9-11-4-3-5-12(8-11)20-2/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-(3-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-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82814680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).