1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

C16H25NO2 — CID 79069176

IUPAC1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccccc1OC)N1CCCC1
InChIInChI=1S/C16H25NO2/c1-4-16(2,17-11-7-8-12-17)15(18)13-9-5-6-10-14(13)19-3/h5-6,9-10,15,18H,4,7-8,11-12H2,1-3H3
InChIKeyUFFOKSPWGHZZAU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79069176) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79069176
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccccc1OC)N1CCCC1
InChIInChI=1S/C16H25NO2/c1-4-16(2,17-11-7-8-12-17)15(18)13-9-5-6-10-14(13)19-3/h5-6,9-10,15,18H,4,7-8,11-12H2,1-3H3
InChIKeyUFFOKSPWGHZZAU-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 114726874
1-(3-methoxypyrazin-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 104515174
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (CID 79069176) is 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(C)(C(O)c1ccccc1OC)N1CCCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is UFFOKSPWGHZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(2,17-11-7-8-12-17)15(18)13-9-5-6-10-14(13)19-3/h5-6,9-10,15,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79069176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).