N-benzyl-2-methyl-2,3-dihydroinden-1-imine

C17H17N — CID 166437795

IUPACN-benzyl-2-methyl-2,3-dihydroinden-1-imine
SMILESCC1Cc2ccccc2/C1=N/Cc1ccccc1
InChIInChI=1S/C17H17N/c1-13-11-15-9-5-6-10-16(15)17(13)18-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/b18-17+
InChIKeyDWEMOGBQFALLHL-ISLYRVAYSA-N
MW235.33 g/mol
LogP3.87
Rot. Bonds2

About N-benzyl-2-methyl-2,3-dihydroinden-1-imine

N-benzyl-2-methyl-2,3-dihydroinden-1-imine (PubChem CID 166437795) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-benzyl-2-methyl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-benzyl-2-methyl-2,3-dihydroinden-1-imine
PubChem CID166437795
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-benzyl-2-methyl-2,3-dihydroinden-1-imine
SMILESCC1Cc2ccccc2/C1=N/Cc1ccccc1
InChIInChI=1S/C17H17N/c1-13-11-15-9-5-6-10-16(15)17(13)18-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/b18-17+
InChIKeyDWEMOGBQFALLHL-ISLYRVAYSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.87
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

(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
N-benzyl-5,7-dimethyl-2-azabicyclo[4.1.0]heptan-3-imine
CID 135839640
N-benzyl-7-chloro-5-methyl-2-azabicyclo[4.1.0]heptan-3-imine
CID 135550564
3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride
CID 53352547
N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 58410610
4,10-dimethyl-9,10-dihydrophenanthrene
CID 144612931
11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
3-benzyl-3,4-dihydroisochromen-1-one
CID 10728624
2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
CID 46183786
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one
CID 102109576
N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine
CID 67536022

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-2,3-dihydroinden-1-imine?
The IUPAC name of N-benzyl-2-methyl-2,3-dihydroinden-1-imine (CID 166437795) is N-benzyl-2-methyl-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-benzyl-2-methyl-2,3-dihydroinden-1-imine?
The canonical SMILES for N-benzyl-2-methyl-2,3-dihydroinden-1-imine is CC1Cc2ccccc2/C1=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-2,3-dihydroinden-1-imine?
The InChIKey is DWEMOGBQFALLHL-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H17N/c1-13-11-15-9-5-6-10-16(15)17(13)18-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/b18-17+.
What are the key properties of N-benzyl-2-methyl-2,3-dihydroinden-1-imine?
N-benzyl-2-methyl-2,3-dihydroinden-1-imine has a molecular weight of 235.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 166437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).