N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine

C17H19F2N — CID 66808763

IUPACN-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H19F2N/c1-3-20(4-2)17(18,19)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyUJVPENZVMAHQTP-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.74
Rot. Bonds5

About N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine

N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine (PubChem CID 66808763) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine
PubChem CID66808763
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H19F2N/c1-3-20(4-2)17(18,19)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyUJVPENZVMAHQTP-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine (CID 66808763) is N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine is CCN(CC)C(F)(F)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine?
The InChIKey is UJVPENZVMAHQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-20(4-2)17(18,19)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine?
N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro-(2-phenylphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 66808763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).