5-methoxy-2-(2-methylbutoxy)aniline

C12H19NO2 — CID 62103254

IUPAC5-methoxy-2-(2-methylbutoxy)aniline
SMILESCCC(C)COc1ccc(OC)cc1N
InChIInChI=1S/C12H19NO2/c1-4-9(2)8-15-12-6-5-10(14-3)7-11(12)13/h5-7,9H,4,8,13H2,1-3H3
InChIKeyKMEDNWXJASINLC-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.70
Rot. Bonds5

About 5-methoxy-2-(2-methylbutoxy)aniline

5-methoxy-2-(2-methylbutoxy)aniline (PubChem CID 62103254) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylbutoxy)aniline.

Molecular Properties

Compound Name5-methoxy-2-(2-methylbutoxy)aniline
PubChem CID62103254
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-methoxy-2-(2-methylbutoxy)aniline
SMILESCCC(C)COc1ccc(OC)cc1N
InChIInChI=1S/C12H19NO2/c1-4-9(2)8-15-12-6-5-10(14-3)7-11(12)13/h5-7,9H,4,8,13H2,1-3H3
InChIKeyKMEDNWXJASINLC-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
(2-amino-4-methoxyphenyl) propanoate
CID 163982026
5-methoxy-2-nonoxyaniline
CID 43128995
4-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
CID 104705248
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylbutoxy)aniline?
The IUPAC name of 5-methoxy-2-(2-methylbutoxy)aniline (CID 62103254) is 5-methoxy-2-(2-methylbutoxy)aniline.
What is the SMILES notation for 5-methoxy-2-(2-methylbutoxy)aniline?
The canonical SMILES for 5-methoxy-2-(2-methylbutoxy)aniline is CCC(C)COc1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-(2-methylbutoxy)aniline?
The InChIKey is KMEDNWXJASINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9(2)8-15-12-6-5-10(14-3)7-11(12)13/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of 5-methoxy-2-(2-methylbutoxy)aniline?
5-methoxy-2-(2-methylbutoxy)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylbutoxy)aniline is sourced from PubChem (CID 62103254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).