2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol

C12H18ClNO — CID 117327992

IUPAC2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)c(O)c(C(C)(C)N)c1
InChIInChI=1S/C12H18ClNO/c1-7(2)8-5-9(12(3,4)14)11(15)10(13)6-8/h5-7,15H,14H2,1-4H3
InChIKeyQAPPYHNJYGSHIG-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.36
Rot. Bonds2

About 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol

2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol (PubChem CID 117327992) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
PubChem CID117327992
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)c(O)c(C(C)(C)N)c1
InChIInChI=1S/C12H18ClNO/c1-7(2)8-5-9(12(3,4)14)11(15)10(13)6-8/h5-7,15H,14H2,1-4H3
InChIKeyQAPPYHNJYGSHIG-UHFFFAOYSA-N
XLogP3.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol (CID 117327992) is 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol is CC(C)c1cc(Cl)c(O)c(C(C)(C)N)c1.
What is the InChIKey of 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol?
The InChIKey is QAPPYHNJYGSHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-7(2)8-5-9(12(3,4)14)11(15)10(13)6-8/h5-7,15H,14H2,1-4H3.
What are the key properties of 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol?
2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol has a molecular weight of 227.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol is sourced from PubChem (CID 117327992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).