N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine

C19H21N — CID 70596229

IUPACN-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine
SMILESCc1cc2c(cc1CC/N=C/c1ccccc1)CCC2
InChIInChI=1S/C19H21N/c1-15-12-18-8-5-9-19(18)13-17(15)10-11-20-14-16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11H2,1H3/b20-14+
InChIKeyREIWXQQPQHZZSA-XSFVSMFZSA-N
MW263.38 g/mol
LogP4.15
Rot. Bonds4

About N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine

N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine (PubChem CID 70596229) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine
PubChem CID70596229
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine
SMILESCc1cc2c(cc1CC/N=C/c1ccccc1)CCC2
InChIInChI=1S/C19H21N/c1-15-12-18-8-5-9-19(18)13-17(15)10-11-20-14-16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11H2,1H3/b20-14+
InChIKeyREIWXQQPQHZZSA-XSFVSMFZSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine?
The IUPAC name of N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine (CID 70596229) is N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine?
The canonical SMILES for N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine is Cc1cc2c(cc1CC/N=C/c1ccccc1)CCC2.
What is the InChIKey of N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine?
The InChIKey is REIWXQQPQHZZSA-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N/c1-15-12-18-8-5-9-19(18)13-17(15)10-11-20-14-16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11H2,1H3/b20-14+.
What are the key properties of N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine?
N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine has a molecular weight of 263.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine is sourced from PubChem (CID 70596229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).