2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine

C13H20N2O2 — CID 63672016

IUPAC2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
SMILESCOc1cc(N(C)CC2CCCO2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-15(9-11-4-3-7-17-11)10-5-6-12(14)13(8-10)16-2/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKeyFJPSKEKHFYDWDG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.89
Rot. Bonds4

About 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine

2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine (PubChem CID 63672016) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
PubChem CID63672016
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
SMILESCOc1cc(N(C)CC2CCCO2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-15(9-11-4-3-7-17-11)10-5-6-12(14)13(8-10)16-2/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKeyFJPSKEKHFYDWDG-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002804
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
CID 63879607
1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
CID 104528515
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 113295571
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63060974

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine (CID 63672016) is 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine is COc1cc(N(C)CC2CCCO2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is FJPSKEKHFYDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(9-11-4-3-7-17-11)10-5-6-12(14)13(8-10)16-2/h5-6,8,11H,3-4,7,9,14H2,1-2H3.
What are the key properties of 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 236.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 63672016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).