(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride

C19H23ClN2O2 — CID 119816945

IUPAC(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCCC2CC(O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2.ClH/c20-16-9-4-8-15(12-16)19(23)21-11-5-10-17(21)13-18(22)14-6-2-1-3-7-14;/h1-4,6-9,12,17-18,22H,5,10-11,13,20H2;1H
InChIKeyKIZPSKBBSUGPJB-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.42
Rot. Bonds4

About (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride

(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119816945) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119816945
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCCC2CC(O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2.ClH/c20-16-9-4-8-15(12-16)19(23)21-11-5-10-17(21)13-18(22)14-6-2-1-3-7-14;/h1-4,6-9,12,17-18,22H,5,10-11,13,20H2;1H
InChIKeyKIZPSKBBSUGPJB-UHFFFAOYSA-N
XLogP3.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]benzoic acid
CID 129415441
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428
[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 96517884
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 111472326
(3,5-difluorophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472321
(2-chloro-4-pyridinyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97081158
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2-methylsulfanyl-4-pyridinyl)methanone
CID 111472354
[2-(dimethylamino)-4-pyridinyl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472375
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111472411
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119816945) is (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCCC2CC(O)c2ccccc2)c1.
What is the InChIKey of (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is KIZPSKBBSUGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-16-9-4-8-15(12-16)19(23)21-11-5-10-17(21)13-18(22)14-6-2-1-3-7-14;/h1-4,6-9,12,17-18,22H,5,10-11,13,20H2;1H.
What are the key properties of (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119816945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).