4-[4-(dibutylamino)phenyl]aniline

C20H28N2 — CID 174369648

IUPAC4-[4-(dibutylamino)phenyl]aniline
SMILESCCCCN(CCCC)c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C20H28N2/c1-3-5-15-22(16-6-4-2)20-13-9-18(10-14-20)17-7-11-19(21)12-8-17/h7-14H,3-6,15-16,21H2,1-2H3
InChIKeyNWBVQOKRCYQWGY-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.34
Rot. Bonds8

About 4-[4-(dibutylamino)phenyl]aniline

4-[4-(dibutylamino)phenyl]aniline (PubChem CID 174369648) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[4-(dibutylamino)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(dibutylamino)phenyl]aniline
PubChem CID174369648
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[4-(dibutylamino)phenyl]aniline
SMILESCCCCN(CCCC)c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C20H28N2/c1-3-5-15-22(16-6-4-2)20-13-9-18(10-14-20)17-7-11-19(21)12-8-17/h7-14H,3-6,15-16,21H2,1-2H3
InChIKeyNWBVQOKRCYQWGY-UHFFFAOYSA-N
XLogP5.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
3-(4-amino-N-butylanilino)propane-1-sulfonic acid
CID 4614654
[4-[4-(dibutylamino)phenyl]phenyl]boronic acid
CID 70971873
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
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
N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline
CID 89273655

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dibutylamino)phenyl]aniline?
The IUPAC name of 4-[4-(dibutylamino)phenyl]aniline (CID 174369648) is 4-[4-(dibutylamino)phenyl]aniline.
What is the SMILES notation for 4-[4-(dibutylamino)phenyl]aniline?
The canonical SMILES for 4-[4-(dibutylamino)phenyl]aniline is CCCCN(CCCC)c1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(dibutylamino)phenyl]aniline?
The InChIKey is NWBVQOKRCYQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-3-5-15-22(16-6-4-2)20-13-9-18(10-14-20)17-7-11-19(21)12-8-17/h7-14H,3-6,15-16,21H2,1-2H3.
What are the key properties of 4-[4-(dibutylamino)phenyl]aniline?
4-[4-(dibutylamino)phenyl]aniline has a molecular weight of 296.46 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dibutylamino)phenyl]aniline is sourced from PubChem (CID 174369648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).