N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine

C18H19N — CID 166437262

IUPACN-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine
SMILESCc1ccc2c(c1)CC(C)/C2=N\Cc1ccccc1
InChIInChI=1S/C18H19N/c1-13-8-9-17-16(10-13)11-14(2)18(17)19-12-15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3/b19-18+
InChIKeyHYCIMQQSGUDGCW-VHEBQXMUSA-N
MW249.36 g/mol
LogP4.18
Rot. Bonds2

About N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine

N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine (PubChem CID 166437262) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine
PubChem CID166437262
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine
SMILESCc1ccc2c(c1)CC(C)/C2=N\Cc1ccccc1
InChIInChI=1S/C18H19N/c1-13-8-9-17-16(10-13)11-14(2)18(17)19-12-15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3/b19-18+
InChIKeyHYCIMQQSGUDGCW-VHEBQXMUSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.18
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
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3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
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1-[2-(2,4-Dimethylphenyl)ethyl]-3,4-dihydroisoquinoline hydrochloride
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CID 2731696
N-Benzyl-1-indanimine
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine?
The IUPAC name of N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine (CID 166437262) is N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine?
The canonical SMILES for N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine is Cc1ccc2c(c1)CC(C)/C2=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine?
The InChIKey is HYCIMQQSGUDGCW-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19N/c1-13-8-9-17-16(10-13)11-14(2)18(17)19-12-15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3/b19-18+.
What are the key properties of N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine?
N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine has a molecular weight of 249.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 166437262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).