N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine

C19H16N2O2 — CID 14974267

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine
SMILESC[C@@H](/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C19H16N2O2/c1-14(18-8-4-6-16-5-2-3-7-19(16)18)20-13-15-9-11-17(12-10-15)21(22)23/h2-14H,1H3/b20-13+/t14-/m1/s1
InChIKeyCHVQCTQCYMFFTG-GNUZOCDUSA-N
MW304.35 g/mol
LogP4.93
Rot. Bonds4

About N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine

N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine (PubChem CID 14974267) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine
PubChem CID14974267
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine
SMILESC[C@@H](/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C19H16N2O2/c1-14(18-8-4-6-16-5-2-3-7-19(16)18)20-13-15-9-11-17(12-10-15)21(22)23/h2-14H,1H3/b20-13+/t14-/m1/s1
InChIKeyCHVQCTQCYMFFTG-GNUZOCDUSA-N
XLogP4.93
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.93
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

N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
1-naphthalen-2-yl-N-[(1S)-1-naphthalen-1-ylethyl]methanimine
CID 139062261
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
(3R)-3-naphthalen-1-yl-1-(4-nitrophenyl)butan-1-one
CID 101338138
N-(1-naphthalen-1-ylpropyl)-4-nitroaniline
CID 71561876
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6009175
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
dinaphthalen-1-ylmethyl (2R)-2-(4-nitrophenoxy)propanoate
CID 166439916
N-(dinaphthalen-1-ylmethyl)-1-naphthalen-2-ylmethanimine
CID 139964651

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine (CID 14974267) is N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine is C[C@@H](/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine?
The InChIKey is CHVQCTQCYMFFTG-GNUZOCDUSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14(18-8-4-6-16-5-2-3-7-19(16)18)20-13-15-9-11-17(12-10-15)21(22)23/h2-14H,1H3/b20-13+/t14-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine?
N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine has a molecular weight of 304.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 14974267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).