2-methoxy-1-N'-phenylethane-1,1-diamine

C9H14N2O — CID 139645747

IUPAC2-methoxy-1-N'-phenylethane-1,1-diamine
SMILESCOCC(N)Nc1ccccc1
InChIInChI=1S/C9H14N2O/c1-12-7-9(10)11-8-5-3-2-4-6-8/h2-6,9,11H,7,10H2,1H3
InChIKeyMCYADVPJNFQROF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.03
Rot. Bonds4

About 2-methoxy-1-N'-phenylethane-1,1-diamine

2-methoxy-1-N'-phenylethane-1,1-diamine (PubChem CID 139645747) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-1-N'-phenylethane-1,1-diamine.

Molecular Properties

Compound Name2-methoxy-1-N'-phenylethane-1,1-diamine
PubChem CID139645747
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methoxy-1-N'-phenylethane-1,1-diamine
SMILESCOCC(N)Nc1ccccc1
InChIInChI=1S/C9H14N2O/c1-12-7-9(10)11-8-5-3-2-4-6-8/h2-6,9,11H,7,10H2,1H3
InChIKeyMCYADVPJNFQROF-UHFFFAOYSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N'-phenylethane-1,1-diamine?
The IUPAC name of 2-methoxy-1-N'-phenylethane-1,1-diamine (CID 139645747) is 2-methoxy-1-N'-phenylethane-1,1-diamine.
What is the SMILES notation for 2-methoxy-1-N'-phenylethane-1,1-diamine?
The canonical SMILES for 2-methoxy-1-N'-phenylethane-1,1-diamine is COCC(N)Nc1ccccc1.
What is the InChIKey of 2-methoxy-1-N'-phenylethane-1,1-diamine?
The InChIKey is MCYADVPJNFQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-7-9(10)11-8-5-3-2-4-6-8/h2-6,9,11H,7,10H2,1H3.
What are the key properties of 2-methoxy-1-N'-phenylethane-1,1-diamine?
2-methoxy-1-N'-phenylethane-1,1-diamine has a molecular weight of 166.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-N'-phenylethane-1,1-diamine is sourced from PubChem (CID 139645747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).