3-ethyl-2-methoxyaniline

C9H13NO — CID 22065594

IUPAC3-ethyl-2-methoxyaniline
SMILESCCc1cccc(N)c1OC
InChIInChI=1S/C9H13NO/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6H,3,10H2,1-2H3
InChIKeyXTFYPNHCQILMKR-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.84
Rot. Bonds2

About 3-ethyl-2-methoxyaniline

3-ethyl-2-methoxyaniline (PubChem CID 22065594) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethyl-2-methoxyaniline.

Molecular Properties

Compound Name3-ethyl-2-methoxyaniline
PubChem CID22065594
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-ethyl-2-methoxyaniline
SMILESCCc1cccc(N)c1OC
InChIInChI=1S/C9H13NO/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6H,3,10H2,1-2H3
InChIKeyXTFYPNHCQILMKR-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-methoxyaniline 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

Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
2-Methoxyaniline
CID 7000
2-Anisidine hydrochloride
CID 8638
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 91697
2-(o-Tolyloxy)aniline
CID 19692
3-Methoxy-4-methylaniline
CID 27882
6-Amino-o-cresol
CID 413657
2-Benzyloxyaniline
CID 240548
2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
CID 2392234
3-(Phenoxymethyl)aniline
CID 427435
5-Amino-2-methoxybenzotrifluoride
CID 600705

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxyaniline?
The IUPAC name of 3-ethyl-2-methoxyaniline (CID 22065594) is 3-ethyl-2-methoxyaniline.
What is the SMILES notation for 3-ethyl-2-methoxyaniline?
The canonical SMILES for 3-ethyl-2-methoxyaniline is CCc1cccc(N)c1OC.
What is the InChIKey of 3-ethyl-2-methoxyaniline?
The InChIKey is XTFYPNHCQILMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxyaniline?
3-ethyl-2-methoxyaniline has a molecular weight of 151.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxyaniline is sourced from PubChem (CID 22065594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).