2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine

C17H27NO — CID 55112134

IUPAC2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
SMILESCCCOc1ccc(C2CCNC2CC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-11-19-15-7-5-14(6-8-15)16-9-10-18-17(16)12-13(2)3/h5-8,13,16-18H,4,9-12H2,1-3H3
InChIKeyLPJXPTHHSAAQGK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds6

About 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine

2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine (PubChem CID 55112134) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
PubChem CID55112134
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
SMILESCCCOc1ccc(C2CCNC2CC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-11-19-15-7-5-14(6-8-15)16-9-10-18-17(16)12-13(2)3/h5-8,13,16-18H,4,9-12H2,1-3H3
InChIKeyLPJXPTHHSAAQGK-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763269
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83242129
[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
CID 81010748
2-(4-butoxyphenyl)piperidine
CID 3525424

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine?
The IUPAC name of 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine (CID 55112134) is 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine is CCCOc1ccc(C2CCNC2CC(C)C)cc1.
What is the InChIKey of 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine?
The InChIKey is LPJXPTHHSAAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-19-15-7-5-14(6-8-15)16-9-10-18-17(16)12-13(2)3/h5-8,13,16-18H,4,9-12H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine?
2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine is sourced from PubChem (CID 55112134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).