3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline

C19H25NO2 — CID 54802754

IUPAC3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCCC(C)Oc1cccc(NCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO2/c1-4-16(3)22-19-7-5-6-17(14-19)20-12-13-21-18-10-8-15(2)9-11-18/h5-11,14,16,20H,4,12-13H2,1-3H3
InChIKeyIBXLVQBNKMLPSW-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.66
Rot. Bonds8

About 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline

3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 54802754) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID54802754
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCCC(C)Oc1cccc(NCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO2/c1-4-16(3)22-19-7-5-6-17(14-19)20-12-13-21-18-10-8-15(2)9-11-18/h5-11,14,16,20H,4,12-13H2,1-3H3
InChIKeyIBXLVQBNKMLPSW-UHFFFAOYSA-N
XLogP4.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yloxy-N-[2-(2,5-dimethylphenoxy)ethyl]aniline
CID 54802671
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
N-[2-(4-chlorophenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802913
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
CID 54802909
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline (CID 54802754) is 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline is CCC(C)Oc1cccc(NCCOc2ccc(C)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is IBXLVQBNKMLPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-16(3)22-19-7-5-6-17(14-19)20-12-13-21-18-10-8-15(2)9-11-18/h5-11,14,16,20H,4,12-13H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline?
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 54802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).