3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol

C14H21NO2 — CID 117237779

IUPAC3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol
SMILESCc1ccccc1OCC(CO)C1CCNC1
InChIInChI=1S/C14H21NO2/c1-11-4-2-3-5-14(11)17-10-13(9-16)12-6-7-15-8-12/h2-5,12-13,15-16H,6-10H2,1H3
InChIKeyQHGVXKOXDJUOOB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds5

About 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol

3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol (PubChem CID 117237779) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol
PubChem CID117237779
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol
SMILESCc1ccccc1OCC(CO)C1CCNC1
InChIInChI=1S/C14H21NO2/c1-11-4-2-3-5-14(11)17-10-13(9-16)12-6-7-15-8-12/h2-5,12-13,15-16H,6-10H2,1H3
InChIKeyQHGVXKOXDJUOOB-UHFFFAOYSA-N
XLogP1.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine
CID 66755321
1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine
CID 142361084
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol?
The IUPAC name of 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol (CID 117237779) is 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol.
What is the SMILES notation for 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol?
The canonical SMILES for 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol is Cc1ccccc1OCC(CO)C1CCNC1.
What is the InChIKey of 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol?
The InChIKey is QHGVXKOXDJUOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-2-3-5-14(11)17-10-13(9-16)12-6-7-15-8-12/h2-5,12-13,15-16H,6-10H2,1H3.
What are the key properties of 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol?
3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol is sourced from PubChem (CID 117237779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).