1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H25N3O2 — CID 66056573

IUPAC1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCOc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-17(2)10-13-9-14(19)11-18(13)7-8-20-15-5-3-12(16)4-6-15/h3-6,13-14,19H,7-11,16H2,1-2H3
InChIKeyMHEOIDLTLABZEX-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.64
Rot. Bonds6

About 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66056573) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66056573
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCOc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-17(2)10-13-9-14(19)11-18(13)7-8-20-15-5-3-12(16)4-6-15/h3-6,13-14,19H,7-11,16H2,1-2H3
InChIKeyMHEOIDLTLABZEX-UHFFFAOYSA-N
XLogP0.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66056573) is 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCOc1ccc(N)cc1.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is MHEOIDLTLABZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(2)10-13-9-14(19)11-18(13)7-8-20-15-5-3-12(16)4-6-15/h3-6,13-14,19H,7-11,16H2,1-2H3.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 279.38 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).