3-ethyl-5-methoxy-2-methylaniline

C10H15NO — CID 131487769

IUPAC3-ethyl-5-methoxy-2-methylaniline
SMILESCCc1cc(OC)cc(N)c1C
InChIInChI=1S/C10H15NO/c1-4-8-5-9(12-3)6-10(11)7(8)2/h5-6H,4,11H2,1-3H3
InChIKeySGLBJHHCJOXEIR-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.15
Rot. Bonds2

About 3-ethyl-5-methoxy-2-methylaniline

3-ethyl-5-methoxy-2-methylaniline (PubChem CID 131487769) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-2-methylaniline.

Molecular Properties

Compound Name3-ethyl-5-methoxy-2-methylaniline
PubChem CID131487769
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-ethyl-5-methoxy-2-methylaniline
SMILESCCc1cc(OC)cc(N)c1C
InChIInChI=1S/C10H15NO/c1-4-8-5-9(12-3)6-10(11)7(8)2/h5-6H,4,11H2,1-3H3
InChIKeySGLBJHHCJOXEIR-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.15
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

3,5-diethyl-2-methylaniline
CID 105432272
3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
CID 154647621
3-[(2-chloro-5-fluorophenyl)methyl]-5-methoxy-2-methylaniline
CID 154648134
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
2-(2,3-diamino-5-methoxyphenyl)acetic acid
CID 171011380
4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
CID 135124005
5-(difluoromethyl)-3-ethyl-2-methylaniline
CID 134183684
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
CID 3609489
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
ethyl 2-(2-amino-5-methoxy-3-pyridinyl)acetate
CID 170599003

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-2-methylaniline?
The IUPAC name of 3-ethyl-5-methoxy-2-methylaniline (CID 131487769) is 3-ethyl-5-methoxy-2-methylaniline.
What is the SMILES notation for 3-ethyl-5-methoxy-2-methylaniline?
The canonical SMILES for 3-ethyl-5-methoxy-2-methylaniline is CCc1cc(OC)cc(N)c1C.
What is the InChIKey of 3-ethyl-5-methoxy-2-methylaniline?
The InChIKey is SGLBJHHCJOXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-5-9(12-3)6-10(11)7(8)2/h5-6H,4,11H2,1-3H3.
What are the key properties of 3-ethyl-5-methoxy-2-methylaniline?
3-ethyl-5-methoxy-2-methylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-2-methylaniline is sourced from PubChem (CID 131487769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).