2-methoxy-4-(2-methylpentoxy)aniline

C13H21NO2 — CID 103282930

IUPAC2-methoxy-4-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1ccc(N)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-5-10(2)9-16-11-6-7-12(14)13(8-11)15-3/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyXAPPFZFVLLECSF-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.09
Rot. Bonds6

About 2-methoxy-4-(2-methylpentoxy)aniline

2-methoxy-4-(2-methylpentoxy)aniline (PubChem CID 103282930) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methoxy-4-(2-methylpentoxy)aniline.

Molecular Properties

Compound Name2-methoxy-4-(2-methylpentoxy)aniline
PubChem CID103282930
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methoxy-4-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1ccc(N)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-5-10(2)9-16-11-6-7-12(14)13(8-11)15-3/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyXAPPFZFVLLECSF-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
2-amino-4-(2-methylpentoxy)benzenesulfonamide
CID 103282924
2-(2-methylpentoxy)aniline
CID 45075234
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
2-amino-4-methoxy-5-(2-methylpentoxy)benzoic acid
CID 62264681
4-(3-chloropropoxy)-2-methoxyaniline
CID 144945776
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methylpentoxy)aniline?
The IUPAC name of 2-methoxy-4-(2-methylpentoxy)aniline (CID 103282930) is 2-methoxy-4-(2-methylpentoxy)aniline.
What is the SMILES notation for 2-methoxy-4-(2-methylpentoxy)aniline?
The canonical SMILES for 2-methoxy-4-(2-methylpentoxy)aniline is CCCC(C)COc1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(2-methylpentoxy)aniline?
The InChIKey is XAPPFZFVLLECSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-10(2)9-16-11-6-7-12(14)13(8-11)15-3/h6-8,10H,4-5,9,14H2,1-3H3.
What are the key properties of 2-methoxy-4-(2-methylpentoxy)aniline?
2-methoxy-4-(2-methylpentoxy)aniline has a molecular weight of 223.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methylpentoxy)aniline is sourced from PubChem (CID 103282930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).