1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine

C14H11ClN2O2 — CID 5036579

IUPAC1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-10-8-13(17(18)19)6-7-14(10)16-9-11-2-4-12(15)5-3-11/h2-9H,1H3/b16-9+
InChIKeyNDEXQKDXJDRLIH-CXUHLZMHSA-N
MW274.71 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine

1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine (PubChem CID 5036579) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
PubChem CID5036579
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-10-8-13(17(18)19)6-7-14(10)16-9-11-2-4-12(15)5-3-11/h2-9H,1H3/b16-9+
InChIKeyNDEXQKDXJDRLIH-CXUHLZMHSA-N
XLogP4.31
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 54.31
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-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 3904507
1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 4266923
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
N-(5-chloro-2-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126209083
1-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126221072
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
1-chloro-4-nitrobenzene;ethane
CID 90737802

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine (CID 5036579) is 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine is Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The InChIKey is NDEXQKDXJDRLIH-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-10-8-13(17(18)19)6-7-14(10)16-9-11-2-4-12(15)5-3-11/h2-9H,1H3/b16-9+.
What are the key properties of 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine has a molecular weight of 274.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine is sourced from PubChem (CID 5036579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).