N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine

C16H17F2N — CID 870761

IUPACN-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C16H17F2N/c1-2-19(11-13-7-4-3-5-8-13)12-14-15(17)9-6-10-16(14)18/h3-10H,2,11-12H2,1H3
InChIKeyGHGXISCVVAWUCM-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.99
Rot. Bonds5

About N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine

N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine (PubChem CID 870761) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine
PubChem CID870761
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C16H17F2N/c1-2-19(11-13-7-4-3-5-8-13)12-14-15(17)9-6-10-16(14)18/h3-10H,2,11-12H2,1H3
InChIKeyGHGXISCVVAWUCM-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine 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 N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine (CID 870761) is N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1c(F)cccc1F.
What is the InChIKey of N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine?
The InChIKey is GHGXISCVVAWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-19(11-13-7-4-3-5-8-13)12-14-15(17)9-6-10-16(14)18/h3-10H,2,11-12H2,1H3.
What are the key properties of N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine?
N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,6-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 870761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).