2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine

C17H19F2NO — CID 116788881

IUPAC2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine
SMILESCOCc1ccccc1CNCC(F)(F)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-21-12-15-8-6-5-7-14(15)11-20-13-17(18,19)16-9-3-2-4-10-16/h2-10,20H,11-13H2,1H3
InChIKeyNIUQZCGOGHECHZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.71
Rot. Bonds7

About 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine

2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine (PubChem CID 116788881) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine
PubChem CID116788881
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine
SMILESCOCc1ccccc1CNCC(F)(F)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-21-12-15-8-6-5-7-14(15)11-20-13-17(18,19)16-9-3-2-4-10-16/h2-10,20H,11-13H2,1H3
InChIKeyNIUQZCGOGHECHZ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine (CID 116788881) is 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine is COCc1ccccc1CNCC(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine?
The InChIKey is NIUQZCGOGHECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-21-12-15-8-6-5-7-14(15)11-20-13-17(18,19)16-9-3-2-4-10-16/h2-10,20H,11-13H2,1H3.
What are the key properties of 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine?
2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 116788881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).