1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine

C16H17F2NO — CID 107512472

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(C)c(F)c2F)cc1
InChIInChI=1S/C16H17F2NO/c1-10-4-9-13(15(18)14(10)17)16(2,19)11-5-7-12(20-3)8-6-11/h4-9H,19H2,1-3H3
InChIKeyACDPZAZJXXUJNC-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.50
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine

1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 107512472) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID107512472
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(C)c(F)c2F)cc1
InChIInChI=1S/C16H17F2NO/c1-10-4-9-13(15(18)14(10)17)16(2,19)11-5-7-12(20-3)8-6-11/h4-9H,19H2,1-3H3
InChIKeyACDPZAZJXXUJNC-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine (CID 107512472) is 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)(N)c2ccc(C)c(F)c2F)cc1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is ACDPZAZJXXUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-4-9-13(15(18)14(10)17)16(2,19)11-5-7-12(20-3)8-6-11/h4-9H,19H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine?
1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107512472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).