5-methoxy-2-nonoxyaniline

C16H27NO2 — CID 43128995

IUPAC5-methoxy-2-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(OC)cc1N
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-7-8-9-12-19-16-11-10-14(18-2)13-15(16)17/h10-11,13H,3-9,12,17H2,1-2H3
InChIKeyUTZNTCOFHHAWQC-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.41
Rot. Bonds10

About 5-methoxy-2-nonoxyaniline

5-methoxy-2-nonoxyaniline (PubChem CID 43128995) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-methoxy-2-nonoxyaniline.

Molecular Properties

Compound Name5-methoxy-2-nonoxyaniline
PubChem CID43128995
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-methoxy-2-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(OC)cc1N
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-7-8-9-12-19-16-11-10-14(18-2)13-15(16)17/h10-11,13H,3-9,12,17H2,1-2H3
InChIKeyUTZNTCOFHHAWQC-UHFFFAOYSA-N
XLogP4.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.41
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

2-methoxy-5-octoxyaniline
CID 103201140
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CID 55187694
5-bromo-2-hexoxyaniline
CID 28994958
5-methoxy-2-undecoxybenzaldehyde
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5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
(5-methoxy-2-pentoxyphenyl)boronic acid
CID 104706038
4-heptoxybenzene-1,2-diamine
CID 54795786
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106708281
2-octoxyaniline
CID 14747235
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nonoxyaniline?
The IUPAC name of 5-methoxy-2-nonoxyaniline (CID 43128995) is 5-methoxy-2-nonoxyaniline.
What is the SMILES notation for 5-methoxy-2-nonoxyaniline?
The canonical SMILES for 5-methoxy-2-nonoxyaniline is CCCCCCCCCOc1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-nonoxyaniline?
The InChIKey is UTZNTCOFHHAWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-5-6-7-8-9-12-19-16-11-10-14(18-2)13-15(16)17/h10-11,13H,3-9,12,17H2,1-2H3.
What are the key properties of 5-methoxy-2-nonoxyaniline?
5-methoxy-2-nonoxyaniline has a molecular weight of 265.40 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nonoxyaniline is sourced from PubChem (CID 43128995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).