1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide

C14H24IN3O — CID 173073573

IUPAC1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide
SMILESCN(C)C(C)(O)C1CCN(c2ccc(N)cc2)C1.I
InChIInChI=1S/C14H23N3O.HI/c1-14(18,16(2)3)11-8-9-17(10-11)13-6-4-12(15)5-7-13;/h4-7,11,18H,8-10,15H2,1-3H3;1H
InChIKeyQJGIZNXLOAQQQE-UHFFFAOYSA-N
MW377.27 g/mol
LogP1.98
Rot. Bonds3

About 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide

1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide (PubChem CID 173073573) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide
PubChem CID173073573
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide
SMILESCN(C)C(C)(O)C1CCN(c2ccc(N)cc2)C1.I
InChIInChI=1S/C14H23N3O.HI/c1-14(18,16(2)3)11-8-9-17(10-11)13-6-4-12(15)5-7-13;/h4-7,11,18H,8-10,15H2,1-3H3;1H
InChIKeyQJGIZNXLOAQQQE-UHFFFAOYSA-N
XLogP1.98
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide?
The IUPAC name of 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide (CID 173073573) is 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide.
What is the SMILES notation for 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide?
The canonical SMILES for 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide is CN(C)C(C)(O)C1CCN(c2ccc(N)cc2)C1.I.
What is the InChIKey of 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide?
The InChIKey is QJGIZNXLOAQQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-14(18,16(2)3)11-8-9-17(10-11)13-6-4-12(15)5-7-13;/h4-7,11,18H,8-10,15H2,1-3H3;1H.
What are the key properties of 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide?
1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide is sourced from PubChem (CID 173073573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).