3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol

C16H26N2O2 — CID 62466981

IUPAC3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1ccccc1OCCCN1CCCC1CCCO
InChIInChI=1S/C16H26N2O2/c17-15-8-1-2-9-16(15)20-13-5-11-18-10-3-6-14(18)7-4-12-19/h1-2,8-9,14,19H,3-7,10-13,17H2
InChIKeyJRALEFMUCMXLFN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds8

About 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62466981) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62466981
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1ccccc1OCCCN1CCCC1CCCO
InChIInChI=1S/C16H26N2O2/c17-15-8-1-2-9-16(15)20-13-5-11-18-10-3-6-14(18)7-4-12-19/h1-2,8-9,14,19H,3-7,10-13,17H2
InChIKeyJRALEFMUCMXLFN-UHFFFAOYSA-N
XLogP2.27
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
2-[2-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]phenyl]acetic acid
CID 54464897
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (CID 62466981) is 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is Nc1ccccc1OCCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JRALEFMUCMXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-15-8-1-2-9-16(15)20-13-5-11-18-10-3-6-14(18)7-4-12-19/h1-2,8-9,14,19H,3-7,10-13,17H2.
What are the key properties of 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62466981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).