4-(4-aminobutan-2-yloxy)-2-tert-butylphenol

C14H23NO2 — CID 54454280

IUPAC4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
SMILESCC(CCN)Oc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(7-8-15)17-11-5-6-13(16)12(9-11)14(2,3)4/h5-6,9-10,16H,7-8,15H2,1-4H3
InChIKeyVSTSBPDNBUYGRY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.81
Rot. Bonds4

About 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol

4-(4-aminobutan-2-yloxy)-2-tert-butylphenol (PubChem CID 54454280) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol.

Molecular Properties

Compound Name4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
PubChem CID54454280
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
SMILESCC(CCN)Oc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(7-8-15)17-11-5-6-13(16)12(9-11)14(2,3)4/h5-6,9-10,16H,7-8,15H2,1-4H3
InChIKeyVSTSBPDNBUYGRY-UHFFFAOYSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322
4-(4-aminobutan-2-yloxy)aniline
CID 156542424
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 141353760
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 175040177
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol?
The IUPAC name of 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol (CID 54454280) is 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol.
What is the SMILES notation for 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol?
The canonical SMILES for 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol is CC(CCN)Oc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol?
The InChIKey is VSTSBPDNBUYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(7-8-15)17-11-5-6-13(16)12(9-11)14(2,3)4/h5-6,9-10,16H,7-8,15H2,1-4H3.
What are the key properties of 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol?
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-yloxy)-2-tert-butylphenol is sourced from PubChem (CID 54454280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).