(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol

C13H20N2O — CID 66514395

IUPAC(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
SMILESCc1cc(N2CCCC2)ccc1[C@@H](N)CO
InChIInChI=1S/C13H20N2O/c1-10-8-11(15-6-2-3-7-15)4-5-12(10)13(14)9-16/h4-5,8,13,16H,2-3,6-7,9,14H2,1H3/t13-/m0/s1
InChIKeyGFEFNSPZICLEAZ-ZDUSSCGKSA-N
MW220.32 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol

(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 66514395) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
PubChem CID66514395
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
SMILESCc1cc(N2CCCC2)ccc1[C@@H](N)CO
InChIInChI=1S/C13H20N2O/c1-10-8-11(15-6-2-3-7-15)4-5-12(10)13(14)9-16/h4-5,8,13,16H,2-3,6-7,9,14H2,1H3/t13-/m0/s1
InChIKeyGFEFNSPZICLEAZ-ZDUSSCGKSA-N
XLogP1.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methyl-4-pyrrolidin-1-ylphenyl)ethane-1,2-diamine
CID 66517550
(1S)-1-(2-methyl-4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 66518007
(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol
CID 66515532
(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
CID 66515895
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
4-[(1S)-1-amino-2-hydroxyethyl]-3-methylbenzoic acid
CID 66513892
(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
CID 96862844
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol (CID 66514395) is (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol is Cc1cc(N2CCCC2)ccc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is GFEFNSPZICLEAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-11(15-6-2-3-7-15)4-5-12(10)13(14)9-16/h4-5,8,13,16H,2-3,6-7,9,14H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol?
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 66514395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).