(2S)-2-(cyclopropylamino)-2-phenylethanol

C11H15NO — CID 93471499

IUPAC(2S)-2-(cyclopropylamino)-2-phenylethanol
SMILESOC[C@@H](NC1CC1)c1ccccc1
InChIInChI=1S/C11H15NO/c13-8-11(12-10-6-7-10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t11-/m1/s1
InChIKeyUUOMZTQCBIIUOF-LLVKDONJSA-N
MW177.25 g/mol
LogP1.47
Rot. Bonds4

About (2S)-2-(cyclopropylamino)-2-phenylethanol

(2S)-2-(cyclopropylamino)-2-phenylethanol (PubChem CID 93471499) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-(cyclopropylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(cyclopropylamino)-2-phenylethanol
PubChem CID93471499
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S)-2-(cyclopropylamino)-2-phenylethanol
SMILESOC[C@@H](NC1CC1)c1ccccc1
InChIInChI=1S/C11H15NO/c13-8-11(12-10-6-7-10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t11-/m1/s1
InChIKeyUUOMZTQCBIIUOF-LLVKDONJSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
CID 68776969
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(cyclopropylamino)-2-phenylethanol (CID 93471499) is (2S)-2-(cyclopropylamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(cyclopropylamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(cyclopropylamino)-2-phenylethanol is OC[C@@H](NC1CC1)c1ccccc1.
What is the InChIKey of (2S)-2-(cyclopropylamino)-2-phenylethanol?
The InChIKey is UUOMZTQCBIIUOF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c13-8-11(12-10-6-7-10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t11-/m1/s1.
What are the key properties of (2S)-2-(cyclopropylamino)-2-phenylethanol?
(2S)-2-(cyclopropylamino)-2-phenylethanol has a molecular weight of 177.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylamino)-2-phenylethanol is sourced from PubChem (CID 93471499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).