3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride

C11H18ClNO — CID 170874839

IUPAC3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
SMILESCCc1ccccc1C(N)CCO.Cl
InChIInChI=1S/C11H17NO.ClH/c1-2-9-5-3-4-6-10(9)11(12)7-8-13;/h3-6,11,13H,2,7-8,12H2,1H3;1H
InChIKeyNPBYDFGPAFIION-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride

3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride (PubChem CID 170874839) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
PubChem CID170874839
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
SMILESCCc1ccccc1C(N)CCO.Cl
InChIInChI=1S/C11H17NO.ClH/c1-2-9-5-3-4-6-10(9)11(12)7-8-13;/h3-6,11,13H,2,7-8,12H2,1H3;1H
InChIKeyNPBYDFGPAFIION-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(1-amino-3-hydroxypropyl)phenyl]acetonitrile
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methyl 2-[(1S)-1-amino-3-hydroxypropyl]benzoate;hydrochloride
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3-amino-3-(2-tert-butylphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride (CID 170874839) is 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride is CCc1ccccc1C(N)CCO.Cl.
What is the InChIKey of 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride?
The InChIKey is NPBYDFGPAFIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-2-9-5-3-4-6-10(9)11(12)7-8-13;/h3-6,11,13H,2,7-8,12H2,1H3;1H.
What are the key properties of 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride?
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).