2-methoxy-6-octan-2-yloxyaniline

C15H25NO2 — CID 113392822

IUPAC2-methoxy-6-octan-2-yloxyaniline
SMILESCCCCCCC(C)Oc1cccc(OC)c1N
InChIInChI=1S/C15H25NO2/c1-4-5-6-7-9-12(2)18-14-11-8-10-13(17-3)15(14)16/h8,10-12H,4-7,9,16H2,1-3H3
InChIKeyWGVWHMHSDMSVFT-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.02
Rot. Bonds8

About 2-methoxy-6-octan-2-yloxyaniline

2-methoxy-6-octan-2-yloxyaniline (PubChem CID 113392822) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-6-octan-2-yloxyaniline.

Molecular Properties

Compound Name2-methoxy-6-octan-2-yloxyaniline
PubChem CID113392822
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-6-octan-2-yloxyaniline
SMILESCCCCCCC(C)Oc1cccc(OC)c1N
InChIInChI=1S/C15H25NO2/c1-4-5-6-7-9-12(2)18-14-11-8-10-13(17-3)15(14)16/h8,10-12H,4-7,9,16H2,1-3H3
InChIKeyWGVWHMHSDMSVFT-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
1-heptadecan-2-yloxy-2-prop-1-en-2-ylbenzene
CID 142728021
1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434
4-octan-2-yloxyquinolin-8-amine
CID 83060551
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-octan-2-yloxyaniline?
The IUPAC name of 2-methoxy-6-octan-2-yloxyaniline (CID 113392822) is 2-methoxy-6-octan-2-yloxyaniline.
What is the SMILES notation for 2-methoxy-6-octan-2-yloxyaniline?
The canonical SMILES for 2-methoxy-6-octan-2-yloxyaniline is CCCCCCC(C)Oc1cccc(OC)c1N.
What is the InChIKey of 2-methoxy-6-octan-2-yloxyaniline?
The InChIKey is WGVWHMHSDMSVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-6-7-9-12(2)18-14-11-8-10-13(17-3)15(14)16/h8,10-12H,4-7,9,16H2,1-3H3.
What are the key properties of 2-methoxy-6-octan-2-yloxyaniline?
2-methoxy-6-octan-2-yloxyaniline has a molecular weight of 251.37 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-octan-2-yloxyaniline is sourced from PubChem (CID 113392822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).