3-methoxy-N,2-dimethylaniline

C9H13NO — CID 14918451

IUPAC3-methoxy-N,2-dimethylaniline
SMILESCNc1cccc(OC)c1C
InChIInChI=1S/C9H13NO/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6,10H,1-3H3
InChIKeyCQZYVBMGQFYAGU-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds2

About 3-methoxy-N,2-dimethylaniline

3-methoxy-N,2-dimethylaniline (PubChem CID 14918451) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methoxy-N,2-dimethylaniline.

Molecular Properties

Compound Name3-methoxy-N,2-dimethylaniline
PubChem CID14918451
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-methoxy-N,2-dimethylaniline
SMILESCNc1cccc(OC)c1C
InChIInChI=1S/C9H13NO/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6,10H,1-3H3
InChIKeyCQZYVBMGQFYAGU-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2-dimethylaniline?
The IUPAC name of 3-methoxy-N,2-dimethylaniline (CID 14918451) is 3-methoxy-N,2-dimethylaniline.
What is the SMILES notation for 3-methoxy-N,2-dimethylaniline?
The canonical SMILES for 3-methoxy-N,2-dimethylaniline is CNc1cccc(OC)c1C.
What is the InChIKey of 3-methoxy-N,2-dimethylaniline?
The InChIKey is CQZYVBMGQFYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6,10H,1-3H3.
What are the key properties of 3-methoxy-N,2-dimethylaniline?
3-methoxy-N,2-dimethylaniline has a molecular weight of 151.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2-dimethylaniline is sourced from PubChem (CID 14918451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).