4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol

C15H16ClNO — CID 139601186

IUPAC4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
SMILESCC(C)(c1ccc(N)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,18H,17H2,1-2H3
InChIKeyKZARVRKLGLLSKI-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.95
Rot. Bonds2

About 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol

4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol (PubChem CID 139601186) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
PubChem CID139601186
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
SMILESCC(C)(c1ccc(N)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,18H,17H2,1-2H3
InChIKeyKZARVRKLGLLSKI-UHFFFAOYSA-N
XLogP3.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol?
The IUPAC name of 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol (CID 139601186) is 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol.
What is the SMILES notation for 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol?
The canonical SMILES for 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol is CC(C)(c1ccc(N)cc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol?
The InChIKey is KZARVRKLGLLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,18H,17H2,1-2H3.
What are the key properties of 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol?
4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol has a molecular weight of 261.75 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol is sourced from PubChem (CID 139601186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).