2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol

C11H16ClNO — CID 84680049

IUPAC2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(Cl)cc1C(N)CO
InChIInChI=1S/C11H16ClNO/c1-7(2)9-4-3-8(12)5-10(9)11(13)6-14/h3-5,7,11,14H,6,13H2,1-2H3
InChIKeyMCJILYMBCCNNIA-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol

2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol (PubChem CID 84680049) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
PubChem CID84680049
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(Cl)cc1C(N)CO
InChIInChI=1S/C11H16ClNO/c1-7(2)9-4-3-8(12)5-10(9)11(13)6-14/h3-5,7,11,14H,6,13H2,1-2H3
InChIKeyMCJILYMBCCNNIA-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84791951
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(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
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(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
3-(5-chloro-2-propan-2-ylphenyl)butanal
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(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
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CID 83899736

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol (CID 84680049) is 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol is CC(C)c1ccc(Cl)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol?
The InChIKey is MCJILYMBCCNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)9-4-3-8(12)5-10(9)11(13)6-14/h3-5,7,11,14H,6,13H2,1-2H3.
What are the key properties of 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol?
2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol has a molecular weight of 213.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 84680049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).