dichlorocopper;4-methylaniline;3-nitrophenol

C13H14Cl2CuN2O3 — CID 70478847

IUPACdichlorocopper;4-methylaniline;3-nitrophenol
SMILESCc1ccc(N)cc1.Cl[Cu]Cl.O=[N+]([O-])c1cccc(O)c1
InChIInChI=1S/C7H9N.C6H5NO3.2ClH.Cu/c1-6-2-4-7(8)5-3-6;8-6-3-1-2-5(4-6)7(9)10;;;/h2-5H,8H2,1H3;1-4,8H;2*1H;/q;;;;+2/p-2
InChIKeyTULBJRSPIPCEQB-UHFFFAOYSA-L
MW380.72 g/mol
LogP4.25
Rot. Bonds1

About dichlorocopper;4-methylaniline;3-nitrophenol

dichlorocopper;4-methylaniline;3-nitrophenol (PubChem CID 70478847) has the molecular formula C13H14Cl2CuN2O3 and a molecular weight of 380.72 g/mol. Its IUPAC name is dichlorocopper;4-methylaniline;3-nitrophenol.

Molecular Properties

Compound Namedichlorocopper;4-methylaniline;3-nitrophenol
PubChem CID70478847
Molecular FormulaC13H14Cl2CuN2O3
Molecular Weight380.72 g/mol
Exact Mass378.97
IUPAC Namedichlorocopper;4-methylaniline;3-nitrophenol
SMILESCc1ccc(N)cc1.Cl[Cu]Cl.O=[N+]([O-])c1cccc(O)c1
InChIInChI=1S/C7H9N.C6H5NO3.2ClH.Cu/c1-6-2-4-7(8)5-3-6;8-6-3-1-2-5(4-6)7(9)10;;;/h2-5H,8H2,1H3;1-4,8H;2*1H;/q;;;;+2/p-2
InChIKeyTULBJRSPIPCEQB-UHFFFAOYSA-L
XLogP4.25
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dichlorocopper;4-methylaniline;3-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iodomethane;4-methylaniline;bis(1-methyl-4-nitrobenzene)
CID 160667909
1,3-dinitrobenzene;3-methylaniline
CID 158923372
1-methyl-3-nitrobenzene
CID 7422
3-bromophenol;1,3-dinitrobenzene
CID 174334115
azane;1-methyl-3-nitrobenzene
CID 174504430
4-methylphenol;4-nitrophenol
CID 68529378
1-methyl-3-nitrobenzene chloride
CID 20509973
2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine
CID 173361961
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-(4-nitrophenyl)phenol
CID 15743438
naphthalen-2-ol;4-nitroaniline
CID 160761253

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;4-methylaniline;3-nitrophenol?
The IUPAC name of dichlorocopper;4-methylaniline;3-nitrophenol (CID 70478847) is dichlorocopper;4-methylaniline;3-nitrophenol.
What is the SMILES notation for dichlorocopper;4-methylaniline;3-nitrophenol?
The canonical SMILES for dichlorocopper;4-methylaniline;3-nitrophenol is Cc1ccc(N)cc1.Cl[Cu]Cl.O=[N+]([O-])c1cccc(O)c1.
What is the InChIKey of dichlorocopper;4-methylaniline;3-nitrophenol?
The InChIKey is TULBJRSPIPCEQB-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9N.C6H5NO3.2ClH.Cu/c1-6-2-4-7(8)5-3-6;8-6-3-1-2-5(4-6)7(9)10;;;/h2-5H,8H2,1H3;1-4,8H;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlorocopper;4-methylaniline;3-nitrophenol?
dichlorocopper;4-methylaniline;3-nitrophenol has a molecular weight of 380.72 g/mol, XLogP of 4.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;4-methylaniline;3-nitrophenol is sourced from PubChem (CID 70478847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).