1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol

C14H21NO2 — CID 67938820

IUPAC1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
SMILESCC(O)C(OCc1ccccc1)N1CCCC1
InChIInChI=1S/C14H21NO2/c1-12(16)14(15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyANRMAWMOKCGRKG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds5

About 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol

1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol (PubChem CID 67938820) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
PubChem CID67938820
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
SMILESCC(O)C(OCc1ccccc1)N1CCCC1
InChIInChI=1S/C14H21NO2/c1-12(16)14(15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyANRMAWMOKCGRKG-UHFFFAOYSA-N
XLogP2.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
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1-bromo-1-phenylmethoxypropan-2-ol
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(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
CID 70255948
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol (CID 67938820) is 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol is CC(O)C(OCc1ccccc1)N1CCCC1.
What is the InChIKey of 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is ANRMAWMOKCGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(16)14(15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3.
What are the key properties of 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol?
1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 67938820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).