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

C19H21N — CID 102375032

IUPACN-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](C)C2
InChIInChI=1S/C19H21N/c1-14-11-17-9-6-10-18(19(17)12-14)15(2)20-13-16-7-4-3-5-8-16/h3-10,14H,11-13H2,1-2H3/b20-15+/t14-/m0/s1
InChIKeyQGGZMMSOFZWTGF-SPPQWUQUSA-N
MW263.38 g/mol
LogP4.43
Rot. Bonds3

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

N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine (PubChem CID 102375032) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine.

Molecular Properties

Compound NameN-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine
PubChem CID102375032
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](C)C2
InChIInChI=1S/C19H21N/c1-14-11-17-9-6-10-18(19(17)12-14)15(2)20-13-16-7-4-3-5-8-16/h3-10,14H,11-13H2,1-2H3/b20-15+/t14-/m0/s1
InChIKeyQGGZMMSOFZWTGF-SPPQWUQUSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.43
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
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
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CID 32411
1-phenyl-N-(1-phenylethyl)ethanimine
CID 10680615
5-methyl-7~{H}-benzo[d][2]benzazepine
CID 134129091
N-benzyl-2-fluoro-2,3-dihydroinden-1-imine
CID 135077780
(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole
CID 138984902
AB-131/15501113
CID 1224108
5,7-dimethyl-7H-benzo[d][2]benzazepine
CID 13757303
(1R)-1-Phenyl-N-[(E)-1-phenylethylidene]ethanamine
CID 10987878
N-Benzyl-1-indanimine
CID 11085364
N-(9H-fluoren-9-yl)-2,2-dimethylpropan-1-imine
CID 11299670

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
The IUPAC name of N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine (CID 102375032) is N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine.
What is the SMILES notation for N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
The canonical SMILES for N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine is C/C(=N\Cc1ccccc1)c1cccc2c1C[C@@H](C)C2.
What is the InChIKey of N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
The InChIKey is QGGZMMSOFZWTGF-SPPQWUQUSA-N. The full InChI is InChI=1S/C19H21N/c1-14-11-17-9-6-10-18(19(17)12-14)15(2)20-13-16-7-4-3-5-8-16/h3-10,14H,11-13H2,1-2H3/b20-15+/t14-/m0/s1.
What are the key properties of N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine?
N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine has a molecular weight of 263.38 g/mol, XLogP of 4.43, 3 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-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine is sourced from PubChem (CID 102375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).