3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol

C15H24N2O — CID 55075970

IUPAC3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(c1cccc(N)c1)N1CCCC1CCCO
InChIInChI=1S/C15H24N2O/c1-12(13-5-2-6-14(16)11-13)17-9-3-7-15(17)8-4-10-18/h2,5-6,11-12,15,18H,3-4,7-10,16H2,1H3
InChIKeyYBQPJMCXXWGPBI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds5

About 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55075970) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55075970
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(c1cccc(N)c1)N1CCCC1CCCO
InChIInChI=1S/C15H24N2O/c1-12(13-5-2-6-14(16)11-13)17-9-3-7-15(17)8-4-10-18/h2,5-6,11-12,15,18H,3-4,7-10,16H2,1H3
InChIKeyYBQPJMCXXWGPBI-UHFFFAOYSA-N
XLogP2.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62469480
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
(2R)-2-(4,4-dimethoxybutyl)-1-[(1S)-1-phenylethyl]pyrrolidine
CID 14634536
3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-ol
CID 102227670
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
3-[1-[2-amino-1-(5-methylfuran-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467339
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 55075970) is 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol is CC(c1cccc(N)c1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is YBQPJMCXXWGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(13-5-2-6-14(16)11-13)17-9-3-7-15(17)8-4-10-18/h2,5-6,11-12,15,18H,3-4,7-10,16H2,1H3.
What are the key properties of 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55075970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).