4-phenylmethoxy-2-propan-2-ylpyrrolidine

C14H21NO — CID 23588974

IUPAC4-phenylmethoxy-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(OCc2ccccc2)CN1
InChIInChI=1S/C14H21NO/c1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyMVTSZLSEGJKRKW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds4

About 4-phenylmethoxy-2-propan-2-ylpyrrolidine

4-phenylmethoxy-2-propan-2-ylpyrrolidine (PubChem CID 23588974) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-phenylmethoxy-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-phenylmethoxy-2-propan-2-ylpyrrolidine
PubChem CID23588974
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-phenylmethoxy-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(OCc2ccccc2)CN1
InChIInChI=1S/C14H21NO/c1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyMVTSZLSEGJKRKW-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine
CID 177461252
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
ethane;(NE)-N-[[(2S)-4-phenylmethoxypyrrolidin-2-yl]methylidene]hydroxylamine;toluene
CID 155739040
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
CID 155739038
5-methyl-3-phenylmethoxyazepane
CID 123477831
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
(2S,4S)-4-butoxy-2-propan-2-ylpyrrolidine
CID 99994491
2-(phenylmethoxymethyl)-5-propan-2-ylmorpholine
CID 79246718
(3S,4S)-5,5,5-trifluoro-4-hydroxy-1-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]-3-propan-2-ylpentan-1-one
CID 149221455
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-propan-2-ylpyrrolidine?
The IUPAC name of 4-phenylmethoxy-2-propan-2-ylpyrrolidine (CID 23588974) is 4-phenylmethoxy-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-phenylmethoxy-2-propan-2-ylpyrrolidine?
The canonical SMILES for 4-phenylmethoxy-2-propan-2-ylpyrrolidine is CC(C)C1CC(OCc2ccccc2)CN1.
What is the InChIKey of 4-phenylmethoxy-2-propan-2-ylpyrrolidine?
The InChIKey is MVTSZLSEGJKRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3.
What are the key properties of 4-phenylmethoxy-2-propan-2-ylpyrrolidine?
4-phenylmethoxy-2-propan-2-ylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 23588974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).