2-methoxy-3,4,6-trimethylaniline

C10H15NO — CID 116963019

IUPAC2-methoxy-3,4,6-trimethylaniline
SMILESCOc1c(C)c(C)cc(C)c1N
InChIInChI=1S/C10H15NO/c1-6-5-7(2)9(11)10(12-4)8(6)3/h5H,11H2,1-4H3
InChIKeyJVUJIMJHLDCWGX-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.20
Rot. Bonds1

About 2-methoxy-3,4,6-trimethylaniline

2-methoxy-3,4,6-trimethylaniline (PubChem CID 116963019) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methoxy-3,4,6-trimethylaniline.

Molecular Properties

Compound Name2-methoxy-3,4,6-trimethylaniline
PubChem CID116963019
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methoxy-3,4,6-trimethylaniline
SMILESCOc1c(C)c(C)cc(C)c1N
InChIInChI=1S/C10H15NO/c1-6-5-7(2)9(11)10(12-4)8(6)3/h5H,11H2,1-4H3
InChIKeyJVUJIMJHLDCWGX-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-methylaniline
CID 459249
2-Methoxynaphthalen-1-amine
CID 75252
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CID 44305
2-Methoxy-3,5-dimethylaniline
CID 20210053
3,5-Di-tert-butyl-2-methoxyaniline
CID 45791470
(4bS,8aS)-1-isopropyl-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-amine
CID 484413
5-Isopropyl-4-methoxy-2-methylbenzenamine
CID 644758
3-Methoxy-5,6,7,8-tetrahydro-naphthalen-2-ylamine
CID 595742
2-Methoxy-4-propylaniline
CID 4712168
2-Ethyl-6-methoxyaniline
CID 10080569
5-methoxy-2,3-dihydro-1H-inden-4-amine
CID 22004792
3-Ethyl-2-methoxyaniline
CID 22065594

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4,6-trimethylaniline?
The IUPAC name of 2-methoxy-3,4,6-trimethylaniline (CID 116963019) is 2-methoxy-3,4,6-trimethylaniline.
What is the SMILES notation for 2-methoxy-3,4,6-trimethylaniline?
The canonical SMILES for 2-methoxy-3,4,6-trimethylaniline is COc1c(C)c(C)cc(C)c1N.
What is the InChIKey of 2-methoxy-3,4,6-trimethylaniline?
The InChIKey is JVUJIMJHLDCWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-5-7(2)9(11)10(12-4)8(6)3/h5H,11H2,1-4H3.
What are the key properties of 2-methoxy-3,4,6-trimethylaniline?
2-methoxy-3,4,6-trimethylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4,6-trimethylaniline is sourced from PubChem (CID 116963019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).