2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol

C11H15Cl2NO2 — CID 131582381

IUPAC2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
SMILESCC(C)(CO)[C@@H](N)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-11(2,5-15)10(14)9-7(13)3-6(12)4-8(9)16/h3-4,10,15-16H,5,14H2,1-2H3/t10-/m0/s1
InChIKeyKRNLICVVMXINBT-JTQLQIEISA-N
MW264.15 g/mol
LogP2.72
Rot. Bonds3

About 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol

2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol (PubChem CID 131582381) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
PubChem CID131582381
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
SMILESCC(C)(CO)[C@@H](N)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-11(2,5-15)10(14)9-7(13)3-6(12)4-8(9)16/h3-4,10,15-16H,5,14H2,1-2H3/t10-/m0/s1
InChIKeyKRNLICVVMXINBT-JTQLQIEISA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
CID 131396220
(3S)-3-amino-2,2-dimethyl-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171243899
(3R)-3-amino-3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245495
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
CID 131387812
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,4,5-trifluorophenol
CID 171257728
(3R)-3-amino-3-(2,3-dichloro-6-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 131566185
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-chlorophenol
CID 131620451
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-6-chlorophenol
CID 131491216
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dimethoxyphenol
CID 171248766
2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
CID 131173726
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
(3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171249442

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol (CID 131582381) is 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol is CC(C)(CO)[C@@H](N)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol?
The InChIKey is KRNLICVVMXINBT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-11(2,5-15)10(14)9-7(13)3-6(12)4-8(9)16/h3-4,10,15-16H,5,14H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol?
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol has a molecular weight of 264.15 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol is sourced from PubChem (CID 131582381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).