1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine

C16H15ClN2O2 — CID 913562

IUPAC1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-6-11(2)16(12(3)7-10)18-9-13-4-5-14(17)15(8-13)19(20)21/h4-9H,1-3H3/b18-9+
InChIKeyCCBXUKOBLUGZFI-GIJQJNRQSA-N
MW302.76 g/mol
LogP4.92
Rot. Bonds3

About 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine

1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 913562) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID913562
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-6-11(2)16(12(3)7-10)18-9-13-4-5-14(17)15(8-13)19(20)21/h4-9H,1-3H3/b18-9+
InChIKeyCCBXUKOBLUGZFI-GIJQJNRQSA-N
XLogP4.92
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.92
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-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
4-[(4-chloro-3-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3376750
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143782
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 1276399
1-(4-chloro-3-nitrophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
CID 3622175
1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine (CID 913562) is 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is CCBXUKOBLUGZFI-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-6-11(2)16(12(3)7-10)18-9-13-4-5-14(17)15(8-13)19(20)21/h4-9H,1-3H3/b18-9+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine?
1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 302.76 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 913562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).