N,N-dioctyl-2-phenoxyaniline

C28H43NO — CID 139723274

IUPACN,N-dioctyl-2-phenoxyaniline
SMILESCCCCCCCCN(CCCCCCCC)c1ccccc1Oc1ccccc1
InChIInChI=1S/C28H43NO/c1-3-5-7-9-11-18-24-29(25-19-12-10-8-6-4-2)27-22-16-17-23-28(27)30-26-20-14-13-15-21-26/h13-17,20-23H,3-12,18-19,24-25H2,1-2H3
InChIKeyWDZCIJKGTZAQQL-UHFFFAOYSA-N
MW409.66 g/mol
LogP9.01
Rot. Bonds17

About N,N-dioctyl-2-phenoxyaniline

N,N-dioctyl-2-phenoxyaniline (PubChem CID 139723274) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is N,N-dioctyl-2-phenoxyaniline.

Molecular Properties

Compound NameN,N-dioctyl-2-phenoxyaniline
PubChem CID139723274
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC NameN,N-dioctyl-2-phenoxyaniline
SMILESCCCCCCCCN(CCCCCCCC)c1ccccc1Oc1ccccc1
InChIInChI=1S/C28H43NO/c1-3-5-7-9-11-18-24-29(25-19-12-10-8-6-4-2)27-22-16-17-23-28(27)30-26-20-14-13-15-21-26/h13-17,20-23H,3-12,18-19,24-25H2,1-2H3
InChIKeyWDZCIJKGTZAQQL-UHFFFAOYSA-N
XLogP9.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
CID 122591106
2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide
CID 122591136
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
2-(dioctadecylamino)phenol
CID 67178725
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-chloro-N,N-dihexylaniline
CID 139723528
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605

Frequently Asked Questions

What is the IUPAC name of N,N-dioctyl-2-phenoxyaniline?
The IUPAC name of N,N-dioctyl-2-phenoxyaniline (CID 139723274) is N,N-dioctyl-2-phenoxyaniline.
What is the SMILES notation for N,N-dioctyl-2-phenoxyaniline?
The canonical SMILES for N,N-dioctyl-2-phenoxyaniline is CCCCCCCCN(CCCCCCCC)c1ccccc1Oc1ccccc1.
What is the InChIKey of N,N-dioctyl-2-phenoxyaniline?
The InChIKey is WDZCIJKGTZAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO/c1-3-5-7-9-11-18-24-29(25-19-12-10-8-6-4-2)27-22-16-17-23-28(27)30-26-20-14-13-15-21-26/h13-17,20-23H,3-12,18-19,24-25H2,1-2H3.
What are the key properties of N,N-dioctyl-2-phenoxyaniline?
N,N-dioctyl-2-phenoxyaniline has a molecular weight of 409.66 g/mol, XLogP of 9.01, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctyl-2-phenoxyaniline is sourced from PubChem (CID 139723274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).