4-N-methoxy-1-N-methylbenzene-1,4-diamine

C8H12N2O — CID 87142473

IUPAC4-N-methoxy-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(NOC)cc1
InChIInChI=1S/C8H12N2O/c1-9-7-3-5-8(6-4-7)10-11-2/h3-6,9-10H,1-2H3
InChIKeyCOMFYONWHRARLR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.70
Rot. Bonds3

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

4-N-methoxy-1-N-methylbenzene-1,4-diamine (PubChem CID 87142473) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-N-methoxy-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methoxy-1-N-methylbenzene-1,4-diamine
PubChem CID87142473
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-N-methoxy-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(NOC)cc1
InChIInChI=1S/C8H12N2O/c1-9-7-3-5-8(6-4-7)10-11-2/h3-6,9-10H,1-2H3
InChIKeyCOMFYONWHRARLR-UHFFFAOYSA-N
XLogP1.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.70
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

4-chloro-N-methoxyaniline
CID 10397071
N,4-dimethoxyaniline
CID 23340556
benzene;N-methoxyaniline
CID 159505017
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
acetic acid;N-methoxyaniline
CID 174899473
CID 123980277
CID 123980277
N-methyl-N-[4-(methylamino)phenyl]hydroxylamine
CID 146340340
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
4-N-iodo-1-N-methylbenzene-1,4-diamine
CID 138623008

Frequently Asked Questions

What is the IUPAC name of 4-N-methoxy-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-methoxy-1-N-methylbenzene-1,4-diamine (CID 87142473) is 4-N-methoxy-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-methoxy-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-methoxy-1-N-methylbenzene-1,4-diamine is CNc1ccc(NOC)cc1.
What is the InChIKey of 4-N-methoxy-1-N-methylbenzene-1,4-diamine?
The InChIKey is COMFYONWHRARLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-7-3-5-8(6-4-7)10-11-2/h3-6,9-10H,1-2H3.
What are the key properties of 4-N-methoxy-1-N-methylbenzene-1,4-diamine?
4-N-methoxy-1-N-methylbenzene-1,4-diamine has a molecular weight of 152.20 g/mol, XLogP of 1.70, 3 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-methylbenzene-1,4-diamine is sourced from PubChem (CID 87142473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).