1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride

C14H22ClNO2 — CID 138397159

IUPAC1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride
SMILESCl.OC(COCCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H21NO2.ClH/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15;/h1-3,6-7,14,16H,4-5,8-12H2;1H
InChIKeyCOXVZBFFPODXOJ-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.25
Rot. Bonds6

About 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride

1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride (PubChem CID 138397159) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride
PubChem CID138397159
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride
SMILESCl.OC(COCCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H21NO2.ClH/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15;/h1-3,6-7,14,16H,4-5,8-12H2;1H
InChIKeyCOXVZBFFPODXOJ-UHFFFAOYSA-N
XLogP2.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
1-phenyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol chloride
CID 13724
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol
CID 139810883
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
1-[2-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]ethoxy]butane-2,3-diol;hydrochloride
CID 142237381
benzene;2-methoxy-1-phenylethanol
CID 174622919

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride (CID 138397159) is 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride is Cl.OC(COCCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride?
The InChIKey is COXVZBFFPODXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15;/h1-3,6-7,14,16H,4-5,8-12H2;1H.
What are the key properties of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride?
1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride is sourced from PubChem (CID 138397159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).