2,5-dimethoxy-1-N-propylbenzene-1,4-diamine

C11H18N2O2 — CID 610932

IUPAC2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
SMILESCCCNc1cc(OC)c(N)cc1OC
InChIInChI=1S/C11H18N2O2/c1-4-5-13-9-7-10(14-2)8(12)6-11(9)15-3/h6-7,13H,4-5,12H2,1-3H3
InChIKeyMPQOFTKPXZZVFV-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.11
Rot. Bonds5

About 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine

2,5-dimethoxy-1-N-propylbenzene-1,4-diamine (PubChem CID 610932) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
PubChem CID610932
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,5-dimethoxy-1-N-propylbenzene-1,4-diamine
SMILESCCCNc1cc(OC)c(N)cc1OC
InChIInChI=1S/C11H18N2O2/c1-4-5-13-9-7-10(14-2)8(12)6-11(9)15-3/h6-7,13H,4-5,12H2,1-3H3
InChIKeyMPQOFTKPXZZVFV-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dimethoxy-1-N-propylbenzene-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

2-chloro-4,5-dimethoxy-N-propylaniline
CID 43712569
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
CID 67560086
N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
CID 139792961
1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259174
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine
CID 106007224
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115197735

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine?
The IUPAC name of 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine (CID 610932) is 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine?
The canonical SMILES for 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine is CCCNc1cc(OC)c(N)cc1OC.
What is the InChIKey of 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine?
The InChIKey is MPQOFTKPXZZVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-13-9-7-10(14-2)8(12)6-11(9)15-3/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine?
2,5-dimethoxy-1-N-propylbenzene-1,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-1-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 610932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).