N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine

C24H23N — CID 102375033

IUPACN-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](c1ccccc1)C2
InChIInChI=1S/C24H23N/c1-18(25-17-19-9-4-2-5-10-19)23-14-8-13-21-15-22(16-24(21)23)20-11-6-3-7-12-20/h2-14,22H,15-17H2,1H3/b25-18+/t22-/m0/s1
InChIKeyVLAZGZWBPVSZNM-BOJFNEGLSA-N
MW325.46 g/mol
LogP5.58
Rot. Bonds4

About N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine

N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine (PubChem CID 102375033) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine.

Molecular Properties

Compound NameN-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine
PubChem CID102375033
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](c1ccccc1)C2
InChIInChI=1S/C24H23N/c1-18(25-17-19-9-4-2-5-10-19)23-14-8-13-21-15-22(16-24(21)23)20-11-6-3-7-12-20/h2-14,22H,15-17H2,1H3/b25-18+/t22-/m0/s1
InChIKeyVLAZGZWBPVSZNM-BOJFNEGLSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.58
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-benzyl-2,3-dihydroinden-1-imine oxide
CID 145982114
Benzylamine, N-(diphenylmethylene)-
CID 290996
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CID 135077780
(3S,4R)-1-butyl-3,4-diphenyl-6-(trifluoromethyl)-3,4-dihydroisoquinoline
CID 138975073
AB-131/15501113
CID 1224108
2,4-dimethyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
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3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614103
3,4,9-triphenyl-1H-2-benzazepine
CID 86185792
7-phenyl-4-[(E)-2-phenylethenyl]-5H-benzo[d][2]benzazepine
CID 101682874
N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696
N-Benzyl-1-indanimine
CID 11085364
1,1-diphenyl-N-(1-phenylethyl)methanimine
CID 11108891

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
The IUPAC name of N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine (CID 102375033) is N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine.
What is the SMILES notation for N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
The canonical SMILES for N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine is C/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](c1ccccc1)C2.
What is the InChIKey of N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
The InChIKey is VLAZGZWBPVSZNM-BOJFNEGLSA-N. The full InChI is InChI=1S/C24H23N/c1-18(25-17-19-9-4-2-5-10-19)23-14-8-13-21-15-22(16-24(21)23)20-11-6-3-7-12-20/h2-14,22H,15-17H2,1H3/b25-18+/t22-/m0/s1.
What are the key properties of N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine has a molecular weight of 325.46 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2S)-2-phenyl-2,3-dihydro-1H-inden-4-yl]ethanimine is sourced from PubChem (CID 102375033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).