N,N-dibutyl-4-phenoxyaniline

C20H27NO — CID 70287986

IUPACN,N-dibutyl-4-phenoxyaniline
SMILESCCCCN(CCCC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-3-5-16-21(17-6-4-2)18-12-14-20(15-13-18)22-19-10-8-7-9-11-19/h7-15H,3-6,16-17H2,1-2H3
InChIKeyINYSKIGHIWAFLU-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.89
Rot. Bonds9

About N,N-dibutyl-4-phenoxyaniline

N,N-dibutyl-4-phenoxyaniline (PubChem CID 70287986) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N,N-dibutyl-4-phenoxyaniline.

Molecular Properties

Compound NameN,N-dibutyl-4-phenoxyaniline
PubChem CID70287986
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN,N-dibutyl-4-phenoxyaniline
SMILESCCCCN(CCCC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-3-5-16-21(17-6-4-2)18-12-14-20(15-13-18)22-19-10-8-7-9-11-19/h7-15H,3-6,16-17H2,1-2H3
InChIKeyINYSKIGHIWAFLU-UHFFFAOYSA-N
XLogP5.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(dibutylamino)phenyl]-triphenylphosphanium
CID 102170052
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N,N-dibutylaniline;perchloric acid
CID 71443116
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
N,N-dibutyl-4-phosphanylaniline
CID 175417850
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-dibutyl-4-fluoroaniline
CID 15399711
4-(N-butylanilino)butyl phenyl carbonate
CID 21419980

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-phenoxyaniline?
The IUPAC name of N,N-dibutyl-4-phenoxyaniline (CID 70287986) is N,N-dibutyl-4-phenoxyaniline.
What is the SMILES notation for N,N-dibutyl-4-phenoxyaniline?
The canonical SMILES for N,N-dibutyl-4-phenoxyaniline is CCCCN(CCCC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N-dibutyl-4-phenoxyaniline?
The InChIKey is INYSKIGHIWAFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-5-16-21(17-6-4-2)18-12-14-20(15-13-18)22-19-10-8-7-9-11-19/h7-15H,3-6,16-17H2,1-2H3.
What are the key properties of N,N-dibutyl-4-phenoxyaniline?
N,N-dibutyl-4-phenoxyaniline has a molecular weight of 297.44 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-phenoxyaniline is sourced from PubChem (CID 70287986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).