2-(octan-2-yloxymethyl)aniline

C15H25NO — CID 43127032

IUPAC2-(octan-2-yloxymethyl)aniline
SMILESCCCCCCC(C)OCc1ccccc1N
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-13(2)17-12-14-10-7-8-11-15(14)16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3
InChIKeyIVYFJZHIRASALO-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.14
Rot. Bonds8

About 2-(octan-2-yloxymethyl)aniline

2-(octan-2-yloxymethyl)aniline (PubChem CID 43127032) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(octan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name2-(octan-2-yloxymethyl)aniline
PubChem CID43127032
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(octan-2-yloxymethyl)aniline
SMILESCCCCCCC(C)OCc1ccccc1N
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-13(2)17-12-14-10-7-8-11-15(14)16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3
InChIKeyIVYFJZHIRASALO-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(octan-2-yloxymethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminobenzyl alcohol
CID 21439
2-Aminobenzhydrol
CID 270810
2-(Methoxymethyl)aniline
CID 12334306
2-Amino-alpha-methylbenzenemethanol
CID 112058
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
2-(2-Methoxyethyl)aniline
CID 15208917
2-Methoxymethyl-p-phenylenediamine
CID 9793859
4-(Methoxymethyl)aniline
CID 15212002
2-(Methoxymethyl)-3-methyl-aniline
CID 89875897
4-(Oxolan-2-yl)aniline
CID 82111256
2-(1-Ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
CID 131851352
2-(2-Aminophenyl)propan-2-ol
CID 253527

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-yloxymethyl)aniline?
The IUPAC name of 2-(octan-2-yloxymethyl)aniline (CID 43127032) is 2-(octan-2-yloxymethyl)aniline.
What is the SMILES notation for 2-(octan-2-yloxymethyl)aniline?
The canonical SMILES for 2-(octan-2-yloxymethyl)aniline is CCCCCCC(C)OCc1ccccc1N.
What is the InChIKey of 2-(octan-2-yloxymethyl)aniline?
The InChIKey is IVYFJZHIRASALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-9-13(2)17-12-14-10-7-8-11-15(14)16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3.
What are the key properties of 2-(octan-2-yloxymethyl)aniline?
2-(octan-2-yloxymethyl)aniline has a molecular weight of 235.37 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-yloxymethyl)aniline is sourced from PubChem (CID 43127032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).