5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine

C10H16N2O — CID 69381099

IUPAC5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
SMILESCOc1cc(N(C)C)cc(N)c1C
InChIInChI=1S/C10H16N2O/c1-7-9(11)5-8(12(2)3)6-10(7)13-4/h5-6H,11H2,1-4H3
InChIKeyQQTZEGWSTOTLJC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.65
Rot. Bonds2

About 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine

5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine (PubChem CID 69381099) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
PubChem CID69381099
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
SMILESCOc1cc(N(C)C)cc(N)c1C
InChIInChI=1S/C10H16N2O/c1-7-9(11)5-8(12(2)3)6-10(7)13-4/h5-6H,11H2,1-4H3
InChIKeyQQTZEGWSTOTLJC-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-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

3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
5-chloro-3-methoxy-2-methylaniline
CID 97179579
5-bromo-3-methoxy-2-methylaniline
CID 27274725
4-[bis[4-(dimethylamino)-2,6-dimethoxyphenyl]methyl]-3,5-dimethoxy-N,N-dimethylaniline
CID 171575933
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 118371301
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
4-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline
CID 174997411

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine (CID 69381099) is 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine is COc1cc(N(C)C)cc(N)c1C.
What is the InChIKey of 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is QQTZEGWSTOTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-9(11)5-8(12(2)3)6-10(7)13-4/h5-6H,11H2,1-4H3.
What are the key properties of 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine?
5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 69381099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).