4-N-methoxy-1-N-phenylbenzene-1,4-diamine

C13H14N2O — CID 23137119

IUPAC4-N-methoxy-1-N-phenylbenzene-1,4-diamine
SMILESCONc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H14N2O/c1-16-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKeyKQBHDUDMZFQJBQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.40
Rot. Bonds4

About 4-N-methoxy-1-N-phenylbenzene-1,4-diamine

4-N-methoxy-1-N-phenylbenzene-1,4-diamine (PubChem CID 23137119) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-methoxy-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methoxy-1-N-phenylbenzene-1,4-diamine
PubChem CID23137119
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-N-methoxy-1-N-phenylbenzene-1,4-diamine
SMILESCONc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H14N2O/c1-16-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKeyKQBHDUDMZFQJBQ-UHFFFAOYSA-N
XLogP3.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;N-methoxyaniline
CID 159505017
acetic acid;N-methoxyaniline
CID 174899473
isocyanic acid;N-methoxyaniline
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methane;methyl 4-anilinobenzoate
CID 160948347
azane;N-phenylaniline
CID 67074378
4-N-methoxy-1-N-methylbenzene-1,4-diamine
CID 87142473
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
2-(4-anilinophenoxy)propanoic acid
CID 43519559
N,4-dimethoxyaniline
CID 23340556
hydrazine;N-phenylaniline
CID 159755629
sodium;dimethylazanide;N-phenylaniline
CID 87793775
4-(4-anilino-N-methylanilino)phenol
CID 143031995

Frequently Asked Questions

What is the IUPAC name of 4-N-methoxy-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-methoxy-1-N-phenylbenzene-1,4-diamine (CID 23137119) is 4-N-methoxy-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-methoxy-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-methoxy-1-N-phenylbenzene-1,4-diamine is CONc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-N-methoxy-1-N-phenylbenzene-1,4-diamine?
The InChIKey is KQBHDUDMZFQJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14-15H,1H3.
What are the key properties of 4-N-methoxy-1-N-phenylbenzene-1,4-diamine?
4-N-methoxy-1-N-phenylbenzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methoxy-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 23137119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).