3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol

C15H23NO2 — CID 83981177

IUPAC3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol
SMILESCOc1ccc(N2CCC(CC(C)CO)C2)cc1
InChIInChI=1S/C15H23NO2/c1-12(11-17)9-13-7-8-16(10-13)14-3-5-15(18-2)6-4-14/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyVIQYYANZUHKRQZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol

3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol (PubChem CID 83981177) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol
PubChem CID83981177
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol
SMILESCOc1ccc(N2CCC(CC(C)CO)C2)cc1
InChIInChI=1S/C15H23NO2/c1-12(11-17)9-13-7-8-16(10-13)14-3-5-15(18-2)6-4-14/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyVIQYYANZUHKRQZ-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83981186
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
3-[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981273
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110414099
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol (CID 83981177) is 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol is COc1ccc(N2CCC(CC(C)CO)C2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
The InChIKey is VIQYYANZUHKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(11-17)9-13-7-8-16(10-13)14-3-5-15(18-2)6-4-14/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 83981177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).