5-ethyl-2-(3-methylbutoxy)aniline

C13H21NO — CID 54853197

IUPAC5-ethyl-2-(3-methylbutoxy)aniline
SMILESCCc1ccc(OCCC(C)C)c(N)c1
InChIInChI=1S/C13H21NO/c1-4-11-5-6-13(12(14)9-11)15-8-7-10(2)3/h5-6,9-10H,4,7-8,14H2,1-3H3
InChIKeyXCXWNCGILXSCLS-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.26
Rot. Bonds5

About 5-ethyl-2-(3-methylbutoxy)aniline

5-ethyl-2-(3-methylbutoxy)aniline (PubChem CID 54853197) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-ethyl-2-(3-methylbutoxy)aniline.

Molecular Properties

Compound Name5-ethyl-2-(3-methylbutoxy)aniline
PubChem CID54853197
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-ethyl-2-(3-methylbutoxy)aniline
SMILESCCc1ccc(OCCC(C)C)c(N)c1
InChIInChI=1S/C13H21NO/c1-4-11-5-6-13(12(14)9-11)15-8-7-10(2)3/h5-6,9-10H,4,7-8,14H2,1-3H3
InChIKeyXCXWNCGILXSCLS-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.26
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

5-ethyl-2-(2-methoxyethoxy)aniline
CID 54853265
5-iodo-2-(3-methylbutoxy)aniline
CID 66080957
5-bromo-2-(3-methylbutoxy)aniline
CID 26190377
3-amino-4-(3-methylbutoxy)benzaldehyde
CID 82057087
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
2-butan-2-yloxy-5-ethylaniline
CID 54853195
3-bromo-5-ethyl-2-(3-methylbutoxy)aniline
CID 54853204
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-(3-methylbutoxy)-5-nitroaniline;hydrochloride
CID 3026836
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
5-ethyl-2-trimethylsilyloxyaniline
CID 167734145

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methylbutoxy)aniline?
The IUPAC name of 5-ethyl-2-(3-methylbutoxy)aniline (CID 54853197) is 5-ethyl-2-(3-methylbutoxy)aniline.
What is the SMILES notation for 5-ethyl-2-(3-methylbutoxy)aniline?
The canonical SMILES for 5-ethyl-2-(3-methylbutoxy)aniline is CCc1ccc(OCCC(C)C)c(N)c1.
What is the InChIKey of 5-ethyl-2-(3-methylbutoxy)aniline?
The InChIKey is XCXWNCGILXSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-5-6-13(12(14)9-11)15-8-7-10(2)3/h5-6,9-10H,4,7-8,14H2,1-3H3.
What are the key properties of 5-ethyl-2-(3-methylbutoxy)aniline?
5-ethyl-2-(3-methylbutoxy)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methylbutoxy)aniline is sourced from PubChem (CID 54853197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).