1-phenylmethoxy-2-propan-2-yloxypyrrolidine

C14H21NO2 — CID 174567067

IUPAC1-phenylmethoxy-2-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CCCN1OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)17-14-9-6-10-15(14)16-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyHCKCKKJWYFESMP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.97
Rot. Bonds5

About 1-phenylmethoxy-2-propan-2-yloxypyrrolidine

1-phenylmethoxy-2-propan-2-yloxypyrrolidine (PubChem CID 174567067) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenylmethoxy-2-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name1-phenylmethoxy-2-propan-2-yloxypyrrolidine
PubChem CID174567067
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-phenylmethoxy-2-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CCCN1OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)17-14-9-6-10-15(14)16-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyHCKCKKJWYFESMP-UHFFFAOYSA-N
XLogP2.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
CID 67938820
N,2,3-trimethyl-1-phenylmethoxypiperidin-4-amine
CID 131227434
4-tert-butyl-1-phenylmethoxypiperidine
CID 12722207
2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid
CID 132565423
(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
CID 155352649
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
[chloro(phenoxy)phosphoryl] (2S)-1-phenylmethoxypyrrolidine-2-carboxylate
CID 88548190
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-2-propan-2-yloxypyrrolidine?
The IUPAC name of 1-phenylmethoxy-2-propan-2-yloxypyrrolidine (CID 174567067) is 1-phenylmethoxy-2-propan-2-yloxypyrrolidine.
What is the SMILES notation for 1-phenylmethoxy-2-propan-2-yloxypyrrolidine?
The canonical SMILES for 1-phenylmethoxy-2-propan-2-yloxypyrrolidine is CC(C)OC1CCCN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-2-propan-2-yloxypyrrolidine?
The InChIKey is HCKCKKJWYFESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)17-14-9-6-10-15(14)16-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3.
What are the key properties of 1-phenylmethoxy-2-propan-2-yloxypyrrolidine?
1-phenylmethoxy-2-propan-2-yloxypyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2-propan-2-yloxypyrrolidine is sourced from PubChem (CID 174567067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).