2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine

C13H17F2NO — CID 55031798

IUPAC2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CC1CC1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C13H17F2NO/c1-16-12(5-8-3-4-8)13-10(14)6-9(17-2)7-11(13)15/h6-8,12,16H,3-5H2,1-2H3
InChIKeyPQMLZHXCMSISBT-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.03
Rot. Bonds5

About 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine

2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 55031798) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID55031798
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CC1CC1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C13H17F2NO/c1-16-12(5-8-3-4-8)13-10(14)6-9(17-2)7-11(13)15/h6-8,12,16H,3-5H2,1-2H3
InChIKeyPQMLZHXCMSISBT-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine (CID 55031798) is 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine is CNC(CC1CC1)c1c(F)cc(OC)cc1F.
What is the InChIKey of 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is PQMLZHXCMSISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16-12(5-8-3-4-8)13-10(14)6-9(17-2)7-11(13)15/h6-8,12,16H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine?
2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 241.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 55031798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).