(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol

C14H21NO2 — CID 64597981

IUPAC(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESCOCC1CCN(c2ccccc2[C@H](C)O)C1
InChIInChI=1S/C14H21NO2/c1-11(16)13-5-3-4-6-14(13)15-8-7-12(9-15)10-17-2/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyWVFHZKSEYIAINI-PXYINDEMSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds4

About (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol

(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 64597981) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
PubChem CID64597981
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESCOCC1CCN(c2ccccc2[C@H](C)O)C1
InChIInChI=1S/C14H21NO2/c1-11(16)13-5-3-4-6-14(13)15-8-7-12(9-15)10-17-2/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyWVFHZKSEYIAINI-PXYINDEMSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
CID 63372106
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
1-[2-(3-propylazetidin-1-yl)phenyl]ethanol
CID 104549305
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
(1R)-1-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 55183213

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol (CID 64597981) is (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol is COCC1CCN(c2ccccc2[C@H](C)O)C1.
What is the InChIKey of (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is WVFHZKSEYIAINI-PXYINDEMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(16)13-5-3-4-6-14(13)15-8-7-12(9-15)10-17-2/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 64597981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).