N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine

C25H26FN — CID 71819222

IUPACN-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C(=N/C(Cc1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C25H26FN/c1-25(2,3)24(21-15-10-16-22(26)18-21)27-23(20-13-8-5-9-14-20)17-19-11-6-4-7-12-19/h4-16,18,23H,17H2,1-3H3/b27-24+
InChIKeyMYOGTWSYSDFYNN-SOYKGTTHSA-N
MW359.49 g/mol
LogP6.64
Rot. Bonds5

About N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine

N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine (PubChem CID 71819222) has the molecular formula C25H26FN and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine
PubChem CID71819222
Molecular FormulaC25H26FN
Molecular Weight359.49 g/mol
Exact Mass359.20
IUPAC NameN-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C(=N/C(Cc1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C25H26FN/c1-25(2,3)24(21-15-10-16-22(26)18-21)27-23(20-13-8-5-9-14-20)17-19-11-6-4-7-12-19/h4-16,18,23H,17H2,1-3H3/b27-24+
InChIKeyMYOGTWSYSDFYNN-SOYKGTTHSA-N
XLogP6.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1,2-diphenylethyl]-2,2-dimethyl-1-phenylpropan-1-imine
CID 139191179
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
3-[1,2-bis(3-fluorophenyl)ethoxycarbonyl]benzoic acid
CID 69410777
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258711
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
CID 67351553

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine?
The IUPAC name of N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine (CID 71819222) is N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine is CC(C)(C)/C(=N/C(Cc1ccccc1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine?
The InChIKey is MYOGTWSYSDFYNN-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H26FN/c1-25(2,3)24(21-15-10-16-22(26)18-21)27-23(20-13-8-5-9-14-20)17-19-11-6-4-7-12-19/h4-16,18,23H,17H2,1-3H3/b27-24+.
What are the key properties of N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine?
N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine has a molecular weight of 359.49 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1-(3-fluorophenyl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 71819222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).