ethane;1-ethyl-2-phenylpyrrolidine

C16H29N — CID 177062481

IUPACethane;1-ethyl-2-phenylpyrrolidine
SMILESCC.CC.CCN1CCCC1c1ccccc1
InChIInChI=1S/C12H17N.2C2H6/c1-2-13-10-6-9-12(13)11-7-4-3-5-8-11;2*1-2/h3-5,7-8,12H,2,6,9-10H2,1H3;2*1-2H3
InChIKeyUPWCAIIMENRHJG-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.90
Rot. Bonds2

About ethane;1-ethyl-2-phenylpyrrolidine

ethane;1-ethyl-2-phenylpyrrolidine (PubChem CID 177062481) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;1-ethyl-2-phenylpyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-2-phenylpyrrolidine
PubChem CID177062481
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;1-ethyl-2-phenylpyrrolidine
SMILESCC.CC.CCN1CCCC1c1ccccc1
InChIInChI=1S/C12H17N.2C2H6/c1-2-13-10-6-9-12(13)11-7-4-3-5-8-11;2*1-2/h3-5,7-8,12H,2,6,9-10H2,1H3;2*1-2H3
InChIKeyUPWCAIIMENRHJG-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59678181
2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-2-ol
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(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
1-butyl-2-phenylpiperidine
CID 10036306
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
5-(1-ethylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
CID 102540510
CID 53230801
CID 53230801
5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine
CID 102539475
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
2-phenylpyrrolidin-1-amine;hydrochloride
CID 75360806

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-phenylpyrrolidine?
The IUPAC name of ethane;1-ethyl-2-phenylpyrrolidine (CID 177062481) is ethane;1-ethyl-2-phenylpyrrolidine.
What is the SMILES notation for ethane;1-ethyl-2-phenylpyrrolidine?
The canonical SMILES for ethane;1-ethyl-2-phenylpyrrolidine is CC.CC.CCN1CCCC1c1ccccc1.
What is the InChIKey of ethane;1-ethyl-2-phenylpyrrolidine?
The InChIKey is UPWCAIIMENRHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C2H6/c1-2-13-10-6-9-12(13)11-7-4-3-5-8-11;2*1-2/h3-5,7-8,12H,2,6,9-10H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-phenylpyrrolidine?
ethane;1-ethyl-2-phenylpyrrolidine has a molecular weight of 235.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-phenylpyrrolidine is sourced from PubChem (CID 177062481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).