1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride

C16H23Cl2NO — CID 21482392

IUPAC1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride
SMILESCC(O)N1C(C)C(c2ccc(Cl)cc2)CC1C1CC1.Cl
InChIInChI=1S/C16H22ClNO.ClH/c1-10-15(12-5-7-14(17)8-6-12)9-16(13-3-4-13)18(10)11(2)19;/h5-8,10-11,13,15-16,19H,3-4,9H2,1-2H3;1H
InChIKeyQUEYFEBFRYFZCB-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.06
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride

1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride (PubChem CID 21482392) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride
PubChem CID21482392
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride
SMILESCC(O)N1C(C)C(c2ccc(Cl)cc2)CC1C1CC1.Cl
InChIInChI=1S/C16H22ClNO.ClH/c1-10-15(12-5-7-14(17)8-6-12)9-16(13-3-4-13)18(10)11(2)19;/h5-8,10-11,13,15-16,19H,3-4,9H2,1-2H3;1H
InChIKeyQUEYFEBFRYFZCB-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US11214540, Example 16
CID 142475102
2-[2,2-Bis(4-chlorophenyl)ethyl-(2-hydroxyethyl)amino]ethanol
CID 13822824
3-(4-Chlorophenyl)-2-(piperidin-1-yl)butan-1-ol--hydrogen chloride (1/1)
CID 3048983
4-[[2-(3,4-Dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol
CID 166350058
(3S)-1-[2-(3-chlorophenyl)propyl]pyrrolidin-3-ol
CID 86804138
Picilorex hydrochloride
CID 21482384
(3S)-1-[2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3-fluoropyrrolidine
CID 58458315
(3R)-3-(4-chloro-2-fluorophenyl)-1-(oxan-4-yl)-4-prop-1-en-2-ylpyrrolidine
CID 134591323
(3R)-3-(4-chloro-2-fluorophenyl)-4-methyl-1-(oxan-4-yl)pyrrolidine
CID 145446605
2-[N-[Bis-(4-chlorophenyl)methyl]N-methylamino]ethanol
CID 18318997
(2R,3R)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632076
1-[[1-(4-Chlorophenyl)cyclopropyl]methyl]-1-ethylpyrrolidin-1-ium
CID 21015748

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride?
The IUPAC name of 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride (CID 21482392) is 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride is CC(O)N1C(C)C(c2ccc(Cl)cc2)CC1C1CC1.Cl.
What is the InChIKey of 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride?
The InChIKey is QUEYFEBFRYFZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO.ClH/c1-10-15(12-5-7-14(17)8-6-12)9-16(13-3-4-13)18(10)11(2)19;/h5-8,10-11,13,15-16,19H,3-4,9H2,1-2H3;1H.
What are the key properties of 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride?
1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride has a molecular weight of 316.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-5-cyclopropyl-2-methylpyrrolidin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 21482392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).