2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride

C18H22ClNO2 — CID 3051589

IUPAC2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-14-18(20,10-11-19-14)16-8-5-9-17(12-16)21-13-15-6-3-2-4-7-15;/h2-9,12,14,19-20H,10-11,13H2,1H3;1H
InChIKeyQPEUXHQMUXOAIA-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride

2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 3051589) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID3051589
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-14-18(20,10-11-19-14)16-8-5-9-17(12-16)21-13-15-6-3-2-4-7-15;/h2-9,12,14,19-20H,10-11,13H2,1H3;1H
InChIKeyQPEUXHQMUXOAIA-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16222640
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CID 23647931
[(2R)-1-[[4-[(3-propan-2-ylphenoxy)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 137643140
(S)-2-(4-Benzyl-phenoxymethyl)-pyrrolidine
CID 16222641
R-96544 hydrochloride
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Rpe65-IN-1
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2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride
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(2R,3R)-3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-phenoxybutan-2-ol;hydrochloride
CID 171795
2-{[3-(Benzyloxy)benzyl]amino}-1-phenyl-1-propanol hydrochloride
CID 2981275
[3-(Biphenyl-3-yloxy)-propyl]-isopropyl-amine
CID 10492217
N-[2-(3-methoxyphenyl)ethyl]-1-[4-(4-phenoxybutoxy)phenyl]propan-2-amine
CID 44534218
(1R)-2-[[(3S,6S)-6-benzhydryloxan-3-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 52951721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride (CID 3051589) is 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride is CC1NCCC1(O)c1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is QPEUXHQMUXOAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-14-18(20,10-11-19-14)16-8-5-9-17(12-16)21-13-15-6-3-2-4-7-15;/h2-9,12,14,19-20H,10-11,13H2,1H3;1H.
What are the key properties of 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride?
2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenylmethoxyphenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).