3-[3-(4-methylpentoxy)propoxy]aniline

C15H25NO2 — CID 43366169

IUPAC3-[3-(4-methylpentoxy)propoxy]aniline
SMILESCC(C)CCCOCCCOc1cccc(N)c1
InChIInChI=1S/C15H25NO2/c1-13(2)6-4-9-17-10-5-11-18-15-8-3-7-14(16)12-15/h3,7-8,12-13H,4-6,9-11,16H2,1-2H3
InChIKeyIPXNOZUFAIZUGP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.49
Rot. Bonds9

About 3-[3-(4-methylpentoxy)propoxy]aniline

3-[3-(4-methylpentoxy)propoxy]aniline (PubChem CID 43366169) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[3-(4-methylpentoxy)propoxy]aniline.

Molecular Properties

Compound Name3-[3-(4-methylpentoxy)propoxy]aniline
PubChem CID43366169
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[3-(4-methylpentoxy)propoxy]aniline
SMILESCC(C)CCCOCCCOc1cccc(N)c1
InChIInChI=1S/C15H25NO2/c1-13(2)6-4-9-17-10-5-11-18-15-8-3-7-14(16)12-15/h3,7-8,12-13H,4-6,9-11,16H2,1-2H3
InChIKeyIPXNOZUFAIZUGP-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.49
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

3-(3-propoxypropoxy)aniline
CID 43247836
3-(4-aminoheptoxy)aniline
CID 160803026
3-[2-(4-methylpentoxy)ethoxy]benzonitrile
CID 43289724
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
3-(3-butan-2-ylsulfanylpropoxy)aniline
CID 43174525
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-[2-(2-methylpropylsulfanyl)ethoxy]aniline
CID 43366405
3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
CID 55002197
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpentoxy)propoxy]aniline?
The IUPAC name of 3-[3-(4-methylpentoxy)propoxy]aniline (CID 43366169) is 3-[3-(4-methylpentoxy)propoxy]aniline.
What is the SMILES notation for 3-[3-(4-methylpentoxy)propoxy]aniline?
The canonical SMILES for 3-[3-(4-methylpentoxy)propoxy]aniline is CC(C)CCCOCCCOc1cccc(N)c1.
What is the InChIKey of 3-[3-(4-methylpentoxy)propoxy]aniline?
The InChIKey is IPXNOZUFAIZUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)6-4-9-17-10-5-11-18-15-8-3-7-14(16)12-15/h3,7-8,12-13H,4-6,9-11,16H2,1-2H3.
What are the key properties of 3-[3-(4-methylpentoxy)propoxy]aniline?
3-[3-(4-methylpentoxy)propoxy]aniline has a molecular weight of 251.37 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpentoxy)propoxy]aniline is sourced from PubChem (CID 43366169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).