4-(4-pentan-2-ylphenoxy)aniline

C17H21NO — CID 19386569

IUPAC4-(4-pentan-2-ylphenoxy)aniline
SMILESCCCC(C)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-4-13(2)14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13H,3-4,18H2,1-2H3
InChIKeyCITDPSIHOGYHSC-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.96
Rot. Bonds5

About 4-(4-pentan-2-ylphenoxy)aniline

4-(4-pentan-2-ylphenoxy)aniline (PubChem CID 19386569) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-pentan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4-(4-pentan-2-ylphenoxy)aniline
PubChem CID19386569
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(4-pentan-2-ylphenoxy)aniline
SMILESCCCC(C)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-4-13(2)14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13H,3-4,18H2,1-2H3
InChIKeyCITDPSIHOGYHSC-UHFFFAOYSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-aminobutan-2-yl)phenoxy]aniline
CID 116996697
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
4-docosan-2-ylaniline
CID 22757336
4-(4-aminophenoxy)aniline
CID 161415647
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[4-[4-(4-aminophenoxy)phenyl]heptan-4-yl]phenoxy]aniline
CID 56978191
4-[4-[1,1,1-tris[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 172849484
4-[(1R)-1-methoxybutyl]aniline
CID 124500573
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
pentan-2-ylbenzene
CID 17627
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663

Frequently Asked Questions

What is the IUPAC name of 4-(4-pentan-2-ylphenoxy)aniline?
The IUPAC name of 4-(4-pentan-2-ylphenoxy)aniline (CID 19386569) is 4-(4-pentan-2-ylphenoxy)aniline.
What is the SMILES notation for 4-(4-pentan-2-ylphenoxy)aniline?
The canonical SMILES for 4-(4-pentan-2-ylphenoxy)aniline is CCCC(C)c1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-pentan-2-ylphenoxy)aniline?
The InChIKey is CITDPSIHOGYHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-4-13(2)14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13H,3-4,18H2,1-2H3.
What are the key properties of 4-(4-pentan-2-ylphenoxy)aniline?
4-(4-pentan-2-ylphenoxy)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentan-2-ylphenoxy)aniline is sourced from PubChem (CID 19386569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).