N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine

C19H16N2O2 — CID 52920772

IUPACN-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine
SMILESC/C(=N\c1cc([N+](=O)[O-])ccc1C)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2/c1-13-7-10-18(21(22)23)12-19(13)20-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12H,1-2H3/b20-14+
InChIKeyKVVNWKPBIIAPPB-XSFVSMFZSA-N
MW304.35 g/mol
LogP5.20
Rot. Bonds3

About N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine

N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine (PubChem CID 52920772) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine
PubChem CID52920772
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine
SMILESC/C(=N\c1cc([N+](=O)[O-])ccc1C)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2/c1-13-7-10-18(21(22)23)12-19(13)20-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12H,1-2H3/b20-14+
InChIKeyKVVNWKPBIIAPPB-XSFVSMFZSA-N
XLogP5.20
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992
ethane;2-(2-methyl-5-nitrophenyl)guanidine
CID 166467852
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
N-(2-methyl-5-nitrophenyl)-1-(3-nitrophenyl)-1-piperidin-1-ylmethanimine
CID 3112328
2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
CID 46178562
3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
CID 932242
(E)-2-methyl-1-naphthalen-2-yl-3-(4-nitrophenyl)prop-2-en-1-one
CID 46867974
N-(2-methyl-5-nitrophenyl)ethanimine
CID 52920639
2-(2-methyl-4-nitrophenyl)sulfanylnaphthalene
CID 143108301
(4-nitrophenyl)methyl naphthalene-2-carboxylate
CID 2507538
(4-methylpyrimidin-2-yl) N-(2-methyl-5-nitrophenyl)-3-nitrobenzenecarboximidothioate
CID 3124576

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine (CID 52920772) is N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine is C/C(=N\c1cc([N+](=O)[O-])ccc1C)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine?
The InChIKey is KVVNWKPBIIAPPB-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-7-10-18(21(22)23)12-19(13)20-14(2)16-9-8-15-5-3-4-6-17(15)11-16/h3-12H,1-2H3/b20-14+.
What are the key properties of N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine?
N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine has a molecular weight of 304.35 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-1-naphthalen-2-ylethanimine is sourced from PubChem (CID 52920772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).