N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine

C18H20F2N2O — CID 15038954

IUPACN-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/[C@@H](OCc1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C18H20F2N2O/c1-22(2)21-13-17(23-14-15-9-5-3-6-10-15)18(19,20)16-11-7-4-8-12-16/h3-13,17H,14H2,1-2H3/b21-13+/t17-/m1/s1
InChIKeyXUGKOXKOZVRKLI-VYVDHXHBSA-N
MW318.37 g/mol
LogP3.91
Rot. Bonds7

About N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine

N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine (PubChem CID 15038954) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
PubChem CID15038954
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/[C@@H](OCc1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C18H20F2N2O/c1-22(2)21-13-17(23-14-15-9-5-3-6-10-15)18(19,20)16-11-7-4-8-12-16/h3-13,17H,14H2,1-2H3/b21-13+/t17-/m1/s1
InChIKeyXUGKOXKOZVRKLI-VYVDHXHBSA-N
XLogP3.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
N-[(E)-[(2R)-3,3-difluoro-2-phenylmethoxybutylidene]amino]-N-methylmethanamine
CID 15038955
(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine
CID 15038956
(E,2R)-3,3-difluoro-N,2-bis(phenylmethoxy)butan-1-imine
CID 15038957
(E)-1-(3-fluorophenyl)-N-[(E)-2-phenylmethoxyethylideneamino]ethanimine
CID 141009039
N-(2,2-difluoropropyl)-1-[4-[methoxy(phenyl)methyl]phenyl]methanimine
CID 155686056
CID 172934747
CID 172934747
1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine
CID 174373068
(E)-N-[(1R)-1-phenylbutoxy]-2-phenylmethoxyethanimine
CID 134875010
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
CID 134877010
N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine
CID 134877011

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine (CID 15038954) is N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine is CN(C)/N=C/[C@@H](OCc1ccccc1)C(F)(F)c1ccccc1.
What is the InChIKey of N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine?
The InChIKey is XUGKOXKOZVRKLI-VYVDHXHBSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-22(2)21-13-17(23-14-15-9-5-3-6-10-15)18(19,20)16-11-7-4-8-12-16/h3-13,17H,14H2,1-2H3/b21-13+/t17-/m1/s1.
What are the key properties of N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine?
N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine has a molecular weight of 318.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 15038954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).