N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

C16H18F2N2O — CID 77087268

IUPACN-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)Cc1c(OC)ccc(F)c1F
InChIInChI=1S/C16H18F2N2O/c1-3-20(10-12-6-4-5-9-19-12)11-13-15(21-2)8-7-14(17)16(13)18/h4-9H,3,10-11H2,1-2H3
InChIKeyJJOZGYIUDLMIQK-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.39
Rot. Bonds6

About N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 77087268) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID77087268
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)Cc1c(OC)ccc(F)c1F
InChIInChI=1S/C16H18F2N2O/c1-3-20(10-12-6-4-5-9-19-12)11-13-15(21-2)8-7-14(17)16(13)18/h4-9H,3,10-11H2,1-2H3
InChIKeyJJOZGYIUDLMIQK-UHFFFAOYSA-N
XLogP3.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (CID 77087268) is N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is CCN(Cc1ccccn1)Cc1c(OC)ccc(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is JJOZGYIUDLMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-3-20(10-12-6-4-5-9-19-12)11-13-15(21-2)8-7-14(17)16(13)18/h4-9H,3,10-11H2,1-2H3.
What are the key properties of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 292.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 77087268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).