4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine

C10H16N2O — CID 135124005

IUPAC4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
SMILESCCc1cc(OC)c(N)c(N)c1C
InChIInChI=1S/C10H16N2O/c1-4-7-5-8(13-3)10(12)9(11)6(7)2/h5H,4,11-12H2,1-3H3
InChIKeyYOOZKPCJSIUAFJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.73
Rot. Bonds2

About 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine

4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine (PubChem CID 135124005) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
PubChem CID135124005
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
SMILESCCc1cc(OC)c(N)c(N)c1C
InChIInChI=1S/C10H16N2O/c1-4-7-5-8(13-3)10(12)9(11)6(7)2/h5H,4,11-12H2,1-3H3
InChIKeyYOOZKPCJSIUAFJ-UHFFFAOYSA-N
XLogP1.73
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3,4-dimethylbenzene-1,2-diamine
CID 151295831
4-ethyl-2-methoxynaphthalen-1-amine
CID 54175608
3-ethyl-5-methoxy-2-methylaniline
CID 131487769
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
CID 20667463
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine?
The IUPAC name of 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine (CID 135124005) is 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine?
The canonical SMILES for 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine is CCc1cc(OC)c(N)c(N)c1C.
What is the InChIKey of 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine?
The InChIKey is YOOZKPCJSIUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-7-5-8(13-3)10(12)9(11)6(7)2/h5H,4,11-12H2,1-3H3.
What are the key properties of 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine?
4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 135124005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).