4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine

C9H14N2O — CID 30029908

IUPAC4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccc(N(C)C)cc1N
InChIInChI=1S/C9H14N2O/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,10H2,1-3H3
InChIKeyKSJMQUBTZAZILT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds2

About 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine

4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine (PubChem CID 30029908) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
PubChem CID30029908
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccc(N(C)C)cc1N
InChIInChI=1S/C9H14N2O/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,10H2,1-3H3
InChIKeyKSJMQUBTZAZILT-UHFFFAOYSA-N
XLogP1.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine (CID 30029908) is 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine is COc1ccc(N(C)C)cc1N.
What is the InChIKey of 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine?
The InChIKey is KSJMQUBTZAZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,10H2,1-3H3.
What are the key properties of 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine?
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine has a molecular weight of 166.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 30029908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).