2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol

C17H27NO2 — CID 79056953

IUPAC2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCCCOc1ccc(C(O)C(C)(C)N2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-13-20-15-9-7-14(8-10-15)16(19)17(2,3)18-11-5-6-12-18/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyMCHJVYLDKZCTMK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds6

About 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol

2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 79056953) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID79056953
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCCCOc1ccc(C(O)C(C)(C)N2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-13-20-15-9-7-14(8-10-15)16(19)17(2,3)18-11-5-6-12-18/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyMCHJVYLDKZCTMK-UHFFFAOYSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056202
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 18175407
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
CID 107128539
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
1,4-diazabicyclo[2.2.2]octan-2-yl-(4-propoxyphenyl)methanol
CID 79969175
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol (CID 79056953) is 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol is CCCOc1ccc(C(O)C(C)(C)N2CCCC2)cc1.
What is the InChIKey of 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is MCHJVYLDKZCTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13-20-15-9-7-14(8-10-15)16(19)17(2,3)18-11-5-6-12-18/h7-10,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol?
2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propoxyphenyl)-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 79056953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).