2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol

C10H14ClNO — CID 83699928

IUPAC2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
SMILESCC(C)(CN)c1ccc(Cl)cc1O
InChIInChI=1S/C10H14ClNO/c1-10(2,6-12)8-4-3-7(11)5-9(8)13/h3-5,13H,6,12H2,1-2H3
InChIKeyYRIVORYWHKZFMX-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.28
Rot. Bonds2

About 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol

2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol (PubChem CID 83699928) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
PubChem CID83699928
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
SMILESCC(C)(CN)c1ccc(Cl)cc1O
InChIInChI=1S/C10H14ClNO/c1-10(2,6-12)8-4-3-7(11)5-9(8)13/h3-5,13H,6,12H2,1-2H3
InChIKeyYRIVORYWHKZFMX-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol (CID 83699928) is 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol is CC(C)(CN)c1ccc(Cl)cc1O.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol?
The InChIKey is YRIVORYWHKZFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(2,6-12)8-4-3-7(11)5-9(8)13/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol?
2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol has a molecular weight of 199.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol is sourced from PubChem (CID 83699928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).