4-[4-(4-aminobutan-2-yl)phenoxy]aniline

C16H20N2O — CID 116996697

IUPAC4-[4-(4-aminobutan-2-yl)phenoxy]aniline
SMILESCC(CCN)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-12(10-11-17)13-2-6-15(7-3-13)19-16-8-4-14(18)5-9-16/h2-9,12H,10-11,17-18H2,1H3
InChIKeyBOMSJAKZAGKERD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.51
Rot. Bonds5

About 4-[4-(4-aminobutan-2-yl)phenoxy]aniline

4-[4-(4-aminobutan-2-yl)phenoxy]aniline (PubChem CID 116996697) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[4-(4-aminobutan-2-yl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminobutan-2-yl)phenoxy]aniline
PubChem CID116996697
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[4-(4-aminobutan-2-yl)phenoxy]aniline
SMILESCC(CCN)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-12(10-11-17)13-2-6-15(7-3-13)19-16-8-4-14(18)5-9-16/h2-9,12H,10-11,17-18H2,1H3
InChIKeyBOMSJAKZAGKERD-UHFFFAOYSA-N
XLogP3.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730
4-amino-1-[4-(4-aminophenoxy)phenyl]butane-1,2-diol
CID 171882277
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
4-(4-aminobutan-2-yloxy)aniline
CID 156542424
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
4-(4-aminophenoxy)aniline
CID 161415647
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
3-[4-(1,1-dioxothietan-3-yl)oxyphenyl]butan-1-amine
CID 117426813
4-[4-[1,1,1-tris[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 172849484
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminobutan-2-yl)phenoxy]aniline?
The IUPAC name of 4-[4-(4-aminobutan-2-yl)phenoxy]aniline (CID 116996697) is 4-[4-(4-aminobutan-2-yl)phenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminobutan-2-yl)phenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminobutan-2-yl)phenoxy]aniline is CC(CCN)c1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminobutan-2-yl)phenoxy]aniline?
The InChIKey is BOMSJAKZAGKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(10-11-17)13-2-6-15(7-3-13)19-16-8-4-14(18)5-9-16/h2-9,12H,10-11,17-18H2,1H3.
What are the key properties of 4-[4-(4-aminobutan-2-yl)phenoxy]aniline?
4-[4-(4-aminobutan-2-yl)phenoxy]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminobutan-2-yl)phenoxy]aniline is sourced from PubChem (CID 116996697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).