(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine

C18H29NO — CID 11129540

IUPAC(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine
SMILESCCC[C@H](ON1CCC[C@@H]1CC(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-9-18(16-10-6-5-7-11-16)20-19-13-8-12-17(19)14-15(2)3/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3/t17-,18+/m1/s1
InChIKeyNCJAGWPCKDAOCX-MSOLQXFVSA-N
MW275.44 g/mol
LogP4.97
Rot. Bonds7

About (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine

(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine (PubChem CID 11129540) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine
PubChem CID11129540
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine
SMILESCCC[C@H](ON1CCC[C@@H]1CC(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-9-18(16-10-6-5-7-11-16)20-19-13-8-12-17(19)14-15(2)3/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3/t17-,18+/m1/s1
InChIKeyNCJAGWPCKDAOCX-MSOLQXFVSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine
CID 10912755
(2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine
CID 11067216
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
CID 10710619
chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
[(3aR,7aR)-2-[(1S)-1-phenylbutoxy]-2-sulfanylidene-3-(trimethylsilylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-1-yl]methyl-trimethylsilane
CID 23421756
[(3aR,7aR)-2-[(1R)-1-phenylbutoxy]-2-sulfanylidene-3-(trimethylsilylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-1-yl]methyl-trimethylsilane
CID 23421755
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
(2R)-2-(4,4-dimethoxybutyl)-1-[(1S)-1-phenylethyl]pyrrolidine
CID 14634536
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine?
The IUPAC name of (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine (CID 11129540) is (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine?
The canonical SMILES for (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine is CCC[C@H](ON1CCC[C@@H]1CC(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine?
The InChIKey is NCJAGWPCKDAOCX-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-9-18(16-10-6-5-7-11-16)20-19-13-8-12-17(19)14-15(2)3/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine?
(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine has a molecular weight of 275.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine is sourced from PubChem (CID 11129540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).