1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

C16H17F2NO — CID 115826541

IUPAC1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-6-7-15(20-2)11(8-10)9-14(19)12-4-3-5-13(17)16(12)18/h3-8,14H,9,19H2,1-2H3
InChIKeyHQVQHZLJKAZINT-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

About 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115826541) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115826541
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-6-7-15(20-2)11(8-10)9-14(19)12-4-3-5-13(17)16(12)18/h3-8,14H,9,19H2,1-2H3
InChIKeyHQVQHZLJKAZINT-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

1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682264
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 115826541) is 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is HQVQHZLJKAZINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-6-7-15(20-2)11(8-10)9-14(19)12-4-3-5-13(17)16(12)18/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)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-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115826541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).