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

C10H16N2O — CID 146951235

IUPAC2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
SMILESCNc1cc(OC)c(NC)cc1C
InChIInChI=1S/C10H16N2O/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6,11-12H,1-4H3
InChIKeyAITOUDJOKBZAAE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds3

About 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine

2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine (PubChem CID 146951235) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
PubChem CID146951235
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
SMILESCNc1cc(OC)c(NC)cc1C
InChIInChI=1S/C10H16N2O/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6,11-12H,1-4H3
InChIKeyAITOUDJOKBZAAE-UHFFFAOYSA-N
XLogP2.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-N,4-N,5-trimethylbenzene-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-methoxy-N,4-dimethyl-5-(methylaminomethyl)aniline
CID 177239410
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
4-chloro-N,2,5-trimethylaniline
CID 82550905
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 126678425
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
5-iodo-2-methoxy-N-methylaniline
CID 82267247
1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
CID 18006545
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone
CID 45117928
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine?
The IUPAC name of 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine (CID 146951235) is 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine?
The canonical SMILES for 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine is CNc1cc(OC)c(NC)cc1C.
What is the InChIKey of 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine?
The InChIKey is AITOUDJOKBZAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6,11-12H,1-4H3.
What are the key properties of 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine?
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 146951235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).