2-(2-methylpentoxy)aniline

C12H19NO — CID 45075234

IUPAC2-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1ccccc1N
InChIInChI=1S/C12H19NO/c1-3-6-10(2)9-14-12-8-5-4-7-11(12)13/h4-5,7-8,10H,3,6,9,13H2,1-2H3
InChIKeyYAEPFVKWZBHVMH-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-methylpentoxy)aniline

2-(2-methylpentoxy)aniline (PubChem CID 45075234) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-methylpentoxy)aniline.

Molecular Properties

Compound Name2-(2-methylpentoxy)aniline
PubChem CID45075234
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1ccccc1N
InChIInChI=1S/C12H19NO/c1-3-6-10(2)9-14-12-8-5-4-7-11(12)13/h4-5,7-8,10H,3,6,9,13H2,1-2H3
InChIKeyYAEPFVKWZBHVMH-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylpentoxy)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

(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
2-(2-methylpentoxy)benzonitrile
CID 62265352
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
2-[2-(pentan-2-ylamino)ethoxy]aniline
CID 107886628
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)aniline?
The IUPAC name of 2-(2-methylpentoxy)aniline (CID 45075234) is 2-(2-methylpentoxy)aniline.
What is the SMILES notation for 2-(2-methylpentoxy)aniline?
The canonical SMILES for 2-(2-methylpentoxy)aniline is CCCC(C)COc1ccccc1N.
What is the InChIKey of 2-(2-methylpentoxy)aniline?
The InChIKey is YAEPFVKWZBHVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-10(2)9-14-12-8-5-4-7-11(12)13/h4-5,7-8,10H,3,6,9,13H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)aniline?
2-(2-methylpentoxy)aniline has a molecular weight of 193.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)aniline is sourced from PubChem (CID 45075234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).