2-butoxy-4-(2-methylpropoxy)aniline

C14H23NO2 — CID 155920753

IUPAC2-butoxy-4-(2-methylpropoxy)aniline
SMILESCCCCOc1cc(OCC(C)C)ccc1N
InChIInChI=1S/C14H23NO2/c1-4-5-8-16-14-9-12(6-7-13(14)15)17-10-11(2)3/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyPXSUHHNCLADFTP-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.48
Rot. Bonds7

About 2-butoxy-4-(2-methylpropoxy)aniline

2-butoxy-4-(2-methylpropoxy)aniline (PubChem CID 155920753) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-butoxy-4-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name2-butoxy-4-(2-methylpropoxy)aniline
PubChem CID155920753
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-butoxy-4-(2-methylpropoxy)aniline
SMILESCCCCOc1cc(OCC(C)C)ccc1N
InChIInChI=1S/C14H23NO2/c1-4-5-8-16-14-9-12(6-7-13(14)15)17-10-11(2)3/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyPXSUHHNCLADFTP-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.48
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

4-octoxy-2-propoxyaniline
CID 63676334
2-ethoxy-4-pentoxyaniline
CID 63678215
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
CID 83002625
2-ethoxy-4-propoxyaniline
CID 63677806
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
2,4,6-tributoxyaniline
CID 130240432
2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
CID 83988070
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-(2-methylpropoxy)aniline?
The IUPAC name of 2-butoxy-4-(2-methylpropoxy)aniline (CID 155920753) is 2-butoxy-4-(2-methylpropoxy)aniline.
What is the SMILES notation for 2-butoxy-4-(2-methylpropoxy)aniline?
The canonical SMILES for 2-butoxy-4-(2-methylpropoxy)aniline is CCCCOc1cc(OCC(C)C)ccc1N.
What is the InChIKey of 2-butoxy-4-(2-methylpropoxy)aniline?
The InChIKey is PXSUHHNCLADFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-8-16-14-9-12(6-7-13(14)15)17-10-11(2)3/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of 2-butoxy-4-(2-methylpropoxy)aniline?
2-butoxy-4-(2-methylpropoxy)aniline has a molecular weight of 237.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-(2-methylpropoxy)aniline is sourced from PubChem (CID 155920753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).