4-[12-(2-methoxyethoxy)dodecyl]aniline

C21H37NO2 — CID 163574819

IUPAC4-[12-(2-methoxyethoxy)dodecyl]aniline
SMILESCOCCOCCCCCCCCCCCCc1ccc(N)cc1
InChIInChI=1S/C21H37NO2/c1-23-18-19-24-17-11-9-7-5-3-2-4-6-8-10-12-20-13-15-21(22)16-14-20/h13-16H,2-12,17-19,22H2,1H3
InChIKeyGCNYAXAAZLCJHS-UHFFFAOYSA-N
MW335.53 g/mol
LogP5.38
Rot. Bonds16

About 4-[12-(2-methoxyethoxy)dodecyl]aniline

4-[12-(2-methoxyethoxy)dodecyl]aniline (PubChem CID 163574819) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 4-[12-(2-methoxyethoxy)dodecyl]aniline.

Molecular Properties

Compound Name4-[12-(2-methoxyethoxy)dodecyl]aniline
PubChem CID163574819
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name4-[12-(2-methoxyethoxy)dodecyl]aniline
SMILESCOCCOCCCCCCCCCCCCc1ccc(N)cc1
InChIInChI=1S/C21H37NO2/c1-23-18-19-24-17-11-9-7-5-3-2-4-6-8-10-12-20-13-15-21(22)16-14-20/h13-16H,2-12,17-19,22H2,1H3
InChIKeyGCNYAXAAZLCJHS-UHFFFAOYSA-N
XLogP5.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
CID 103403075
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
CID 23313285
4-(4-phenylbutoxymethyl)aniline
CID 114332885
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
1,8-bis(2-methoxyethoxy)octane
CID 143118909
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline
CID 59646168

Frequently Asked Questions

What is the IUPAC name of 4-[12-(2-methoxyethoxy)dodecyl]aniline?
The IUPAC name of 4-[12-(2-methoxyethoxy)dodecyl]aniline (CID 163574819) is 4-[12-(2-methoxyethoxy)dodecyl]aniline.
What is the SMILES notation for 4-[12-(2-methoxyethoxy)dodecyl]aniline?
The canonical SMILES for 4-[12-(2-methoxyethoxy)dodecyl]aniline is COCCOCCCCCCCCCCCCc1ccc(N)cc1.
What is the InChIKey of 4-[12-(2-methoxyethoxy)dodecyl]aniline?
The InChIKey is GCNYAXAAZLCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-23-18-19-24-17-11-9-7-5-3-2-4-6-8-10-12-20-13-15-21(22)16-14-20/h13-16H,2-12,17-19,22H2,1H3.
What are the key properties of 4-[12-(2-methoxyethoxy)dodecyl]aniline?
4-[12-(2-methoxyethoxy)dodecyl]aniline has a molecular weight of 335.53 g/mol, XLogP of 5.38, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(2-methoxyethoxy)dodecyl]aniline is sourced from PubChem (CID 163574819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).