2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine

C13H20N2O — CID 63879607

IUPAC2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
SMILESCOc1cc(N(C)CC2CC2C)ccc1N
InChIInChI=1S/C13H20N2O/c1-9-6-10(9)8-15(2)11-4-5-12(14)13(7-11)16-3/h4-5,7,9-10H,6,8,14H2,1-3H3
InChIKeyHQMFMMGLEOGXPV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds4

About 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine

2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine (PubChem CID 63879607) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
PubChem CID63879607
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
SMILESCOc1cc(N(C)CC2CC2C)ccc1N
InChIInChI=1S/C13H20N2O/c1-9-6-10(9)8-15(2)11-4-5-12(14)13(7-11)16-3/h4-5,7,9-10H,6,8,14H2,1-3H3
InChIKeyHQMFMMGLEOGXPV-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine (CID 63879607) is 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine is COc1cc(N(C)CC2CC2C)ccc1N.
What is the InChIKey of 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine?
The InChIKey is HQMFMMGLEOGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-10(9)8-15(2)11-4-5-12(14)13(7-11)16-3/h4-5,7,9-10H,6,8,14H2,1-3H3.
What are the key properties of 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine?
2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63879607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).