(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol

C17H27NO2 — CID 146252625

IUPAC(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol
SMILESCCC1(CC)C[C@@H](CCOCc2ccccc2)NC1O
InChIInChI=1S/C17H27NO2/c1-3-17(4-2)12-15(18-16(17)19)10-11-20-13-14-8-6-5-7-9-14/h5-9,15-16,18-19H,3-4,10-13H2,1-2H3/t15-,16?/m1/s1
InChIKeyFETRBGHSQJHVOR-AAFJCEBUSA-N
MW277.41 g/mol
LogP3.08
Rot. Bonds7

About (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol

(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol (PubChem CID 146252625) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol
PubChem CID146252625
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol
SMILESCCC1(CC)C[C@@H](CCOCc2ccccc2)NC1O
InChIInChI=1S/C17H27NO2/c1-3-17(4-2)12-15(18-16(17)19)10-11-20-13-14-8-6-5-7-9-14/h5-9,15-16,18-19H,3-4,10-13H2,1-2H3/t15-,16?/m1/s1
InChIKeyFETRBGHSQJHVOR-AAFJCEBUSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 158778090
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CID 11799077
(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)oxolan-2-one
CID 122688447
3-[1-(chloromethyl)-2-methylcyclopropyl]propoxymethylbenzene
CID 165445447
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
ethane;phenylmethoxymethylbenzene
CID 90943549
butoxymethylbenzene;ethane
CID 145341806
lithium;butoxymethylbenzene;hydride
CID 175482454
(2S)-2-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 134949626
1-(aminomethyl)-2-(2-phenylmethoxyethyl)cyclopropane-1-carboxylic acid
CID 22182760
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
acetic acid;butoxymethylbenzene
CID 139463153

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol?
The IUPAC name of (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol (CID 146252625) is (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol.
What is the SMILES notation for (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol?
The canonical SMILES for (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol is CCC1(CC)C[C@@H](CCOCc2ccccc2)NC1O.
What is the InChIKey of (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol?
The InChIKey is FETRBGHSQJHVOR-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-17(4-2)12-15(18-16(17)19)10-11-20-13-14-8-6-5-7-9-14/h5-9,15-16,18-19H,3-4,10-13H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol?
(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-ol is sourced from PubChem (CID 146252625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).