N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine

C20H25NO — CID 15727244

IUPACN-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine
SMILESCC(C)(C)C(/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)19(22-16-18-12-8-5-9-13-18)15-21-14-17-10-6-4-7-11-17/h4-13,15,19H,14,16H2,1-3H3/b21-15+
InChIKeyCGAVBUSOXJNJSX-RCCKNPSSSA-N
MW295.43 g/mol
LogP4.89
Rot. Bonds6

About N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine

N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine (PubChem CID 15727244) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine.

Molecular Properties

Compound NameN-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine
PubChem CID15727244
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine
SMILESCC(C)(C)C(/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)19(22-16-18-12-8-5-9-13-18)15-21-14-17-10-6-4-7-11-17/h4-13,15,19H,14,16H2,1-3H3/b21-15+
InChIKeyCGAVBUSOXJNJSX-RCCKNPSSSA-N
XLogP4.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyl(ethoxy)phenylethanimidamide
CID 47199
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
(2S)-N-(2,3-Dibenzyloxypropylidene)benzylamine
CID 10959323
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
2-Phenyl-3-oxazoline
CID 15031923
(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
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CID 123395742

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine?
The IUPAC name of N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine (CID 15727244) is N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine.
What is the SMILES notation for N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine?
The canonical SMILES for N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine is CC(C)(C)C(/C=N/Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine?
The InChIKey is CGAVBUSOXJNJSX-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(2,3)19(22-16-18-12-8-5-9-13-18)15-21-14-17-10-6-4-7-11-17/h4-13,15,19H,14,16H2,1-3H3/b21-15+.
What are the key properties of N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine?
N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine has a molecular weight of 295.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-dimethyl-2-phenylmethoxybutan-1-imine is sourced from PubChem (CID 15727244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).