2-methoxy-5-octoxyaniline

C15H25NO2 — CID 103201140

IUPAC2-methoxy-5-octoxyaniline
SMILESCCCCCCCCOc1ccc(OC)c(N)c1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-8-11-18-13-9-10-15(17-2)14(16)12-13/h9-10,12H,3-8,11,16H2,1-2H3
InChIKeyDXZXMAZVHRCUFQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.02
Rot. Bonds9

About 2-methoxy-5-octoxyaniline

2-methoxy-5-octoxyaniline (PubChem CID 103201140) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-5-octoxyaniline.

Molecular Properties

Compound Name2-methoxy-5-octoxyaniline
PubChem CID103201140
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-5-octoxyaniline
SMILESCCCCCCCCOc1ccc(OC)c(N)c1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-8-11-18-13-9-10-15(17-2)14(16)12-13/h9-10,12H,3-8,11,16H2,1-2H3
InChIKeyDXZXMAZVHRCUFQ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

5-methoxy-2-nonoxyaniline
CID 43128995
4-heptoxybenzene-1,2-diamine
CID 54795786
(2-amino-4-heptoxyphenyl) hydrogen sulfite
CID 67094057
N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
4-octoxy-2-propoxyaniline
CID 63676334
2-methyl-4-nonoxyaniline
CID 43128997
2-ethoxy-4-pentoxyaniline
CID 63678215
2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167
1-methoxy-4-tetradecoxybenzene
CID 91712423
hexyl 3-amino-4-methoxybenzoate
CID 61310261
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-octoxyaniline?
The IUPAC name of 2-methoxy-5-octoxyaniline (CID 103201140) is 2-methoxy-5-octoxyaniline.
What is the SMILES notation for 2-methoxy-5-octoxyaniline?
The canonical SMILES for 2-methoxy-5-octoxyaniline is CCCCCCCCOc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-octoxyaniline?
The InChIKey is DXZXMAZVHRCUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-7-8-11-18-13-9-10-15(17-2)14(16)12-13/h9-10,12H,3-8,11,16H2,1-2H3.
What are the key properties of 2-methoxy-5-octoxyaniline?
2-methoxy-5-octoxyaniline has a molecular weight of 251.37 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-octoxyaniline is sourced from PubChem (CID 103201140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).