N-benzyl-2-phenylmethoxyheptan-1-imine

C21H27NO — CID 15727242

IUPACN-benzyl-2-phenylmethoxyheptan-1-imine
SMILESCCCCCC(/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H27NO/c1-2-3-6-15-21(23-18-20-13-9-5-10-14-20)17-22-16-19-11-7-4-8-12-19/h4-5,7-14,17,21H,2-3,6,15-16,18H2,1H3/b22-17+
InChIKeyPMGOKULFCCNHFP-OQKWZONESA-N
MW309.45 g/mol
LogP5.42
Rot. Bonds10

About N-benzyl-2-phenylmethoxyheptan-1-imine

N-benzyl-2-phenylmethoxyheptan-1-imine (PubChem CID 15727242) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-benzyl-2-phenylmethoxyheptan-1-imine.

Molecular Properties

Compound NameN-benzyl-2-phenylmethoxyheptan-1-imine
PubChem CID15727242
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-benzyl-2-phenylmethoxyheptan-1-imine
SMILESCCCCCC(/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H27NO/c1-2-3-6-15-21(23-18-20-13-9-5-10-14-20)17-22-16-19-11-7-4-8-12-19/h4-5,7-14,17,21H,2-3,6,15-16,18H2,1H3/b22-17+
InChIKeyPMGOKULFCCNHFP-OQKWZONESA-N
XLogP5.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyl(ethoxy)phenylethanimidamide
CID 47199
Acetamidine, 2-ethoxy-N-(2-phenethyl)-2-phenyl-
CID 47192
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
(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714049
(5S)-5-fluoro-5-methyl-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714281
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
methyl (Z)-N-[phenyl(trimethylsilyl)methyl]benzenecarboximidate
CID 11098524
2-Butyl-5-phenyl-4,5-dihydro-oxazole
CID 13484533

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylmethoxyheptan-1-imine?
The IUPAC name of N-benzyl-2-phenylmethoxyheptan-1-imine (CID 15727242) is N-benzyl-2-phenylmethoxyheptan-1-imine.
What is the SMILES notation for N-benzyl-2-phenylmethoxyheptan-1-imine?
The canonical SMILES for N-benzyl-2-phenylmethoxyheptan-1-imine is CCCCCC(/C=N/Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-2-phenylmethoxyheptan-1-imine?
The InChIKey is PMGOKULFCCNHFP-OQKWZONESA-N. The full InChI is InChI=1S/C21H27NO/c1-2-3-6-15-21(23-18-20-13-9-5-10-14-20)17-22-16-19-11-7-4-8-12-19/h4-5,7-14,17,21H,2-3,6,15-16,18H2,1H3/b22-17+.
What are the key properties of N-benzyl-2-phenylmethoxyheptan-1-imine?
N-benzyl-2-phenylmethoxyheptan-1-imine has a molecular weight of 309.45 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylmethoxyheptan-1-imine is sourced from PubChem (CID 15727242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).