2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide

C14H22BrNO2 — CID 67700058

IUPAC2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
SMILESBr.OCC(COc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H21NO2.BrH/c16-11-13(10-15-8-4-5-9-15)12-17-14-6-2-1-3-7-14;/h1-3,6-7,13,16H,4-5,8-12H2;1H
InChIKeyRSQUVRGHGMNXJZ-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.35
Rot. Bonds6

About 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide

2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide (PubChem CID 67700058) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide.

Molecular Properties

Compound Name2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
PubChem CID67700058
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
SMILESBr.OCC(COc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H21NO2.BrH/c16-11-13(10-15-8-4-5-9-15)12-17-14-6-2-1-3-7-14;/h1-3,6-7,13,16H,4-5,8-12H2;1H
InChIKeyRSQUVRGHGMNXJZ-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
(2R)-1-phenoxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 97245429
1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol
CID 70478390
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
1-(azepan-1-yl)-2-phenoxyethanol
CID 70421619
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
(1-phenoxy-3-pyrrolidin-1-ylpropan-2-yl) furan-2-carboxylate;hydrochloride
CID 117068713

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide?
The IUPAC name of 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide (CID 67700058) is 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide.
What is the SMILES notation for 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide?
The canonical SMILES for 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide is Br.OCC(COc1ccccc1)CN1CCCC1.
What is the InChIKey of 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide?
The InChIKey is RSQUVRGHGMNXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.BrH/c16-11-13(10-15-8-4-5-9-15)12-17-14-6-2-1-3-7-14;/h1-3,6-7,13,16H,4-5,8-12H2;1H.
What are the key properties of 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide?
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide has a molecular weight of 316.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide is sourced from PubChem (CID 67700058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).