2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine

C14H25N3O — CID 106036754

IUPAC2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
SMILESCOc1cc(NCCCN(C)C(C)C)ccc1N
InChIInChI=1S/C14H25N3O/c1-11(2)17(3)9-5-8-16-12-6-7-13(15)14(10-12)18-4/h6-7,10-11,16H,5,8-9,15H2,1-4H3
InChIKeyGUXZWCPFZSXFFX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.42
Rot. Bonds7

About 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine

2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine (PubChem CID 106036754) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
PubChem CID106036754
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
SMILESCOc1cc(NCCCN(C)C(C)C)ccc1N
InChIInChI=1S/C14H25N3O/c1-11(2)17(3)9-5-8-16-12-6-7-13(15)14(10-12)18-4/h6-7,10-11,16H,5,8-9,15H2,1-4H3
InChIKeyGUXZWCPFZSXFFX-UHFFFAOYSA-N
XLogP2.42
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]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

methyl 2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzoate
CID 106039570
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine
CID 114124775
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
CID 63675933
N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 106048462
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
CID 83142108
4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine
CID 63677066
2-chloro-4-N-[3-(dimethylamino)propyl]benzene-1,4-diamine
CID 126636290

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine (CID 106036754) is 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine is COc1cc(NCCCN(C)C(C)C)ccc1N.
What is the InChIKey of 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
The InChIKey is GUXZWCPFZSXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17(3)9-5-8-16-12-6-7-13(15)14(10-12)18-4/h6-7,10-11,16H,5,8-9,15H2,1-4H3.
What are the key properties of 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine is sourced from PubChem (CID 106036754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).