(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride

C12H19ClN2O — CID 171236557

IUPAC(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H18N2O.ClH/c13-12(9-15)10-3-5-11(6-4-10)14-7-1-2-8-14;/h3-6,12,15H,1-2,7-9,13H2;1H/t12-;/m0./s1
InChIKeyHJONZHRIFYERSY-YDALLXLXSA-N
MW242.75 g/mol
LogP1.70
Rot. Bonds3

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

(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride (PubChem CID 171236557) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
PubChem CID171236557
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H18N2O.ClH/c13-12(9-15)10-3-5-11(6-4-10)14-7-1-2-8-14;/h3-6,12,15H,1-2,7-9,13H2;1H/t12-;/m0./s1
InChIKeyHJONZHRIFYERSY-YDALLXLXSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.70
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

3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride
CID 171252027
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171245296
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
CID 77130261
(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol
CID 66515532
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride (CID 171236557) is (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride is Cl.N[C@@H](CO)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
The InChIKey is HJONZHRIFYERSY-YDALLXLXSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c13-12(9-15)10-3-5-11(6-4-10)14-7-1-2-8-14;/h3-6,12,15H,1-2,7-9,13H2;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.70, 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-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171236557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).