(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride

C14H22ClNO2 — CID 70591371

IUPAC(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
SMILESCOc1cccc([C@H](O)C[C@H]2CCCN2C)c1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-15-8-4-6-12(15)10-14(16)11-5-3-7-13(9-11)17-2;/h3,5,7,9,12,14,16H,4,6,8,10H2,1-2H3;1H/t12-,14-;/m1./s1
InChIKeySHULEDMUQSVRKT-QMDUSEKHSA-N
MW271.79 g/mol
LogP2.63
Rot. Bonds4

About (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride

(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride (PubChem CID 70591371) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
PubChem CID70591371
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
SMILESCOc1cccc([C@H](O)C[C@H]2CCCN2C)c1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-15-8-4-6-12(15)10-14(16)11-5-3-7-13(9-11)17-2;/h3,5,7,9,12,14,16H,4,6,8,10H2,1-2H3;1H/t12-,14-;/m1./s1
InChIKeySHULEDMUQSVRKT-QMDUSEKHSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
[(1S)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethyl] acetate
CID 90475439
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
1-(3-methoxyphenyl)-2-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111489071
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
(2S)-2-[2-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]-1-methylpyrrolidine
CID 101001528
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
CID 81134950
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride (CID 70591371) is (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride is COc1cccc([C@H](O)C[C@H]2CCCN2C)c1.Cl.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride?
The InChIKey is SHULEDMUQSVRKT-QMDUSEKHSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-15-8-4-6-12(15)10-14(16)11-5-3-7-13(9-11)17-2;/h3,5,7,9,12,14,16H,4,6,8,10H2,1-2H3;1H/t12-,14-;/m1./s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride?
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride is sourced from PubChem (CID 70591371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).