2-amino-4-tert-butylphenol;hydrochloride

C10H16ClNO — CID 71441759

IUPAC2-amino-4-tert-butylphenol;hydrochloride
SMILESCC(C)(C)c1ccc(O)c(N)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-10(2,3)7-4-5-9(12)8(11)6-7;/h4-6,12H,11H2,1-3H3;1H
InChIKeyDMTMIPHTFJMOPB-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.69
Rot. Bonds

About 2-amino-4-tert-butylphenol;hydrochloride

2-amino-4-tert-butylphenol;hydrochloride (PubChem CID 71441759) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-amino-4-tert-butylphenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-tert-butylphenol;hydrochloride
PubChem CID71441759
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-amino-4-tert-butylphenol;hydrochloride
SMILESCC(C)(C)c1ccc(O)c(N)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-10(2,3)7-4-5-9(12)8(11)6-7;/h4-6,12H,11H2,1-3H3;1H
InChIKeyDMTMIPHTFJMOPB-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tert-butylphenol;hydrochloride?
The IUPAC name of 2-amino-4-tert-butylphenol;hydrochloride (CID 71441759) is 2-amino-4-tert-butylphenol;hydrochloride.
What is the SMILES notation for 2-amino-4-tert-butylphenol;hydrochloride?
The canonical SMILES for 2-amino-4-tert-butylphenol;hydrochloride is CC(C)(C)c1ccc(O)c(N)c1.Cl.
What is the InChIKey of 2-amino-4-tert-butylphenol;hydrochloride?
The InChIKey is DMTMIPHTFJMOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-10(2,3)7-4-5-9(12)8(11)6-7;/h4-6,12H,11H2,1-3H3;1H.
What are the key properties of 2-amino-4-tert-butylphenol;hydrochloride?
2-amino-4-tert-butylphenol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tert-butylphenol;hydrochloride is sourced from PubChem (CID 71441759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).