2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol

C15H23BrN2O — CID 114800186

IUPAC2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESNC(CCN1CCC(CCO)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c16-14-3-1-13(2-4-14)15(17)6-9-18-8-5-12(11-18)7-10-19/h1-4,12,15,19H,5-11,17H2
InChIKeyZIJTYXPZORSWBP-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.54
Rot. Bonds6

About 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol

2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800186) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
PubChem CID114800186
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESNC(CCN1CCC(CCO)C1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c16-14-3-1-13(2-4-14)15(17)6-9-18-8-5-12(11-18)7-10-19/h1-4,12,15,19H,5-11,17H2
InChIKeyZIJTYXPZORSWBP-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789594
2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
CID 114800071
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555
1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228840
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol (CID 114800186) is 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol is NC(CCN1CCC(CCO)C1)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZIJTYXPZORSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c16-14-3-1-13(2-4-14)15(17)6-9-18-8-5-12(11-18)7-10-19/h1-4,12,15,19H,5-11,17H2.
What are the key properties of 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).