1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine

C14H15N3O — CID 174952140

IUPAC1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(N=O)cc2)cc1
InChIInChI=1S/C14H15N3O/c1-15-11-3-7-13(8-4-11)17(2)14-9-5-12(16-18)6-10-14/h3-10,15H,1-2H3
InChIKeyCIEUEDULLRGIST-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.89
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine

1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine (PubChem CID 174952140) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine
PubChem CID174952140
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(N=O)cc2)cc1
InChIInChI=1S/C14H15N3O/c1-15-11-3-7-13(8-4-11)17(2)14-9-5-12(16-18)6-10-14/h3-10,15H,1-2H3
InChIKeyCIEUEDULLRGIST-UHFFFAOYSA-N
XLogP3.89
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenyl-p-phenylenediamine
CID 7564
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N,N-dimethyl-4-nitrosoaniline
CID 8749
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
4-Nitrosodiphenylamine
CID 9074
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
4-Nitrodiphenylamine
CID 13271
N1-Cyclohexyl-N4-phenyl-1,4-benzenediamine
CID 92093
N-Methyl-4-nitroaniline
CID 7483
p-Aminodiphenylamine HCl
CID 75146

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine (CID 174952140) is 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine is CNc1ccc(N(C)c2ccc(N=O)cc2)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine?
The InChIKey is CIEUEDULLRGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-11-3-7-13(8-4-11)17(2)14-9-5-12(16-18)6-10-14/h3-10,15H,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine has a molecular weight of 241.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine is sourced from PubChem (CID 174952140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).