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

C15H23BrN2O — CID 62469480

IUPAC3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCC(c1cccc(Br)c1)N1CCCC1CCCO
InChIInChI=1S/C15H23BrN2O/c16-13-5-1-4-12(10-13)15(11-17)18-8-2-6-14(18)7-3-9-19/h1,4-5,10,14-15,19H,2-3,6-9,11,17H2
InChIKeyQQDGJQAIQWTVAE-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.69
Rot. Bonds6

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

3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469480) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62469480
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCC(c1cccc(Br)c1)N1CCCC1CCCO
InChIInChI=1S/C15H23BrN2O/c16-13-5-1-4-12(10-13)15(11-17)18-8-2-6-14(18)7-3-9-19/h1,4-5,10,14-15,19H,2-3,6-9,11,17H2
InChIKeyQQDGJQAIQWTVAE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55075970
3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076067
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 105405159
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
1-(3-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62612826

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 62469480) is 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol is NCC(c1cccc(Br)c1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is QQDGJQAIQWTVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c16-13-5-1-4-12(10-13)15(11-17)18-8-2-6-14(18)7-3-9-19/h1,4-5,10,14-15,19H,2-3,6-9,11,17H2.
What are the key properties of 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).