(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride

C19H23ClN2O2 — CID 24845460

IUPAC(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride
SMILESCl.Nc1ccc(C(=O)OCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c20-17-10-8-16(9-11-17)19(22)23-14-18(21-12-4-5-13-21)15-6-2-1-3-7-15;/h1-3,6-11,18H,4-5,12-14,20H2;1H
InChIKeyFBBLXEPFPUYCLA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.68
Rot. Bonds5

About (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride

(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride (PubChem CID 24845460) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Name(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride
PubChem CID24845460
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride
SMILESCl.Nc1ccc(C(=O)OCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c20-17-10-8-16(9-11-17)19(22)23-14-18(21-12-4-5-13-21)15-6-2-1-3-7-15;/h1-3,6-11,18H,4-5,12-14,20H2;1H
InChIKeyFBBLXEPFPUYCLA-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride
CID 86127745
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
[phenyl(pyrrolidin-1-yl)methyl] benzoate
CID 162398748
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-methylpropyl 4-aminobenzoate
CID 23616374
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride?
The IUPAC name of (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride (CID 24845460) is (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride.
What is the SMILES notation for (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride?
The canonical SMILES for (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride is Cl.Nc1ccc(C(=O)OCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride?
The InChIKey is FBBLXEPFPUYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-17-10-8-16(9-11-17)19(22)23-14-18(21-12-4-5-13-21)15-6-2-1-3-7-15;/h1-3,6-11,18H,4-5,12-14,20H2;1H.
What are the key properties of (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride?
(2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-2-pyrrolidin-1-ylethyl) 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 24845460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).