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

C11H17NO — CID 55294945

IUPAC2-amino-2-(3-ethylphenyl)propan-1-ol
SMILESCCc1cccc(C(C)(N)CO)c1
InChIInChI=1S/C11H17NO/c1-3-9-5-4-6-10(7-9)11(2,12)8-13/h4-7,13H,3,8,12H2,1-2H3
InChIKeyUOEKHJSJMNGKDS-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.42
Rot. Bonds3

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

2-amino-2-(3-ethylphenyl)propan-1-ol (PubChem CID 55294945) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-2-(3-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3-ethylphenyl)propan-1-ol
PubChem CID55294945
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-2-(3-ethylphenyl)propan-1-ol
SMILESCCc1cccc(C(C)(N)CO)c1
InChIInChI=1S/C11H17NO/c1-3-9-5-4-6-10(7-9)11(2,12)8-13/h4-7,13H,3,8,12H2,1-2H3
InChIKeyUOEKHJSJMNGKDS-UHFFFAOYSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
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[1-amino-1-(3-ethylphenyl)-2-hydroxyethyl]phosphonic acid
CID 18978260
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
CID 55276189
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
(2R)-2-amino-2-[6-(4-ethylphenoxy)naphthalen-2-yl]propan-1-ol
CID 46196317
(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 89151080
4-(3-ethylphenyl)-4-methylpentan-1-amine
CID 70653652
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-ethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(3-ethylphenyl)propan-1-ol (CID 55294945) is 2-amino-2-(3-ethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(3-ethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(3-ethylphenyl)propan-1-ol is CCc1cccc(C(C)(N)CO)c1.
What is the InChIKey of 2-amino-2-(3-ethylphenyl)propan-1-ol?
The InChIKey is UOEKHJSJMNGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-5-4-6-10(7-9)11(2,12)8-13/h4-7,13H,3,8,12H2,1-2H3.
What are the key properties of 2-amino-2-(3-ethylphenyl)propan-1-ol?
2-amino-2-(3-ethylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-ethylphenyl)propan-1-ol is sourced from PubChem (CID 55294945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).