(2R)-2-(cyclopropylmethylamino)-2-phenylethanol

C12H17NO — CID 93471769

IUPAC(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
SMILESOC[C@H](NCC1CC1)c1ccccc1
InChIInChI=1S/C12H17NO/c14-9-12(13-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2/t12-/m0/s1
InChIKeyGURUIBCACUFION-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.72
Rot. Bonds5

About (2R)-2-(cyclopropylmethylamino)-2-phenylethanol

(2R)-2-(cyclopropylmethylamino)-2-phenylethanol (PubChem CID 93471769) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
PubChem CID93471769
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
SMILESOC[C@H](NCC1CC1)c1ccccc1
InChIInChI=1S/C12H17NO/c14-9-12(13-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2/t12-/m0/s1
InChIKeyGURUIBCACUFION-LBPRGKRZSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 106125736
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(cyclopropylmethylamino)-2-phenylethanol (CID 93471769) is (2R)-2-(cyclopropylmethylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(cyclopropylmethylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(cyclopropylmethylamino)-2-phenylethanol is OC[C@H](NCC1CC1)c1ccccc1.
What is the InChIKey of (2R)-2-(cyclopropylmethylamino)-2-phenylethanol?
The InChIKey is GURUIBCACUFION-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c14-9-12(13-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2/t12-/m0/s1.
What are the key properties of (2R)-2-(cyclopropylmethylamino)-2-phenylethanol?
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethylamino)-2-phenylethanol is sourced from PubChem (CID 93471769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).