5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol

C19H25NO — CID 167089337

IUPAC5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol
SMILESCC(Cc1ccc(C(C)(C)C)c(O)c1)c1ccccc1N
InChIInChI=1S/C19H25NO/c1-13(15-7-5-6-8-17(15)20)11-14-9-10-16(18(21)12-14)19(2,3)4/h5-10,12-13,21H,11,20H2,1-4H3
InChIKeyQDLOSDGJBNUKLY-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.62
Rot. Bonds3

About 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol

5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol (PubChem CID 167089337) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol.

Molecular Properties

Compound Name5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol
PubChem CID167089337
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol
SMILESCC(Cc1ccc(C(C)(C)C)c(O)c1)c1ccccc1N
InChIInChI=1S/C19H25NO/c1-13(15-7-5-6-8-17(15)20)11-14-9-10-16(18(21)12-14)19(2,3)4/h5-10,12-13,21H,11,20H2,1-4H3
InChIKeyQDLOSDGJBNUKLY-UHFFFAOYSA-N
XLogP4.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
CID 88729170
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
1,2-ditert-butyl-4-(2-phenylpropyl)benzene
CID 101326630
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol
CID 138634849
1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
CID 101326632
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376
2-tert-butyl-5-(2,2-dimethylpropyl)aniline
CID 142239267
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
2-butan-2-ylaniline;4-methylbenzoic acid
CID 142993926
2-[3-amino-4-[2-[5-amino-2-hydroxy-4-(2-hydroxyethyl)phenyl]propan-2-yl]phenyl]ethane-1,1-diol
CID 139947806

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol?
The IUPAC name of 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol (CID 167089337) is 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol.
What is the SMILES notation for 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol?
The canonical SMILES for 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol is CC(Cc1ccc(C(C)(C)C)c(O)c1)c1ccccc1N.
What is the InChIKey of 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol?
The InChIKey is QDLOSDGJBNUKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(15-7-5-6-8-17(15)20)11-14-9-10-16(18(21)12-14)19(2,3)4/h5-10,12-13,21H,11,20H2,1-4H3.
What are the key properties of 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol?
5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol has a molecular weight of 283.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol is sourced from PubChem (CID 167089337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).