(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol

C11H15NO2 — CID 129319999

IUPAC(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
SMILESN[C@H](CO)c1cccc(OC2CC2)c1
InChIInChI=1S/C11H15NO2/c12-11(7-13)8-2-1-3-10(6-8)14-9-4-5-9/h1-3,6,9,11,13H,4-5,7,12H2/t11-/m1/s1
InChIKeyXABNHNHVNLUTIS-LLVKDONJSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds4

About (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol

(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol (PubChem CID 129319999) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
PubChem CID129319999
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
SMILESN[C@H](CO)c1cccc(OC2CC2)c1
InChIInChI=1S/C11H15NO2/c12-11(7-13)8-2-1-3-10(6-8)14-9-4-5-9/h1-3,6,9,11,13H,4-5,7,12H2/t11-/m1/s1
InChIKeyXABNHNHVNLUTIS-LLVKDONJSA-N
XLogP1.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(thian-4-yloxy)phenyl]ethanol
CID 115005306
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
4-amino-4-[3-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447899
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol (CID 129319999) is (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol is N[C@H](CO)c1cccc(OC2CC2)c1.
What is the InChIKey of (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol?
The InChIKey is XABNHNHVNLUTIS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(7-13)8-2-1-3-10(6-8)14-9-4-5-9/h1-3,6,9,11,13H,4-5,7,12H2/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol?
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol has a molecular weight of 193.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol is sourced from PubChem (CID 129319999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).