1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol

C13H19BrN2O — CID 103355424

IUPAC1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(CN)c2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2O/c1-13(17)6-7-16(9-13)12(8-15)10-4-2-3-5-11(10)14/h2-5,12,17H,6-9,15H2,1H3
InChIKeySQJFAVISHFGFEM-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.91
Rot. Bonds3

About 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol

1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol (PubChem CID 103355424) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
PubChem CID103355424
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(CN)c2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2O/c1-13(17)6-7-16(9-13)12(8-15)10-4-2-3-5-11(10)14/h2-5,12,17H,6-9,15H2,1H3
InChIKeySQJFAVISHFGFEM-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-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

1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355396
[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
CID 55022489
4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-2,6-dione
CID 66084652
tert-butyl 4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 104933462
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 24693860
2-(2-bromophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562548
2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 114462097
N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 102736044
2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
CID 114487997
2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 62133000
2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 55022789

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol (CID 103355424) is 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(C(CN)c2ccccc2Br)C1.
What is the InChIKey of 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol?
The InChIKey is SQJFAVISHFGFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(17)6-7-16(9-13)12(8-15)10-4-2-3-5-11(10)14/h2-5,12,17H,6-9,15H2,1H3.
What are the key properties of 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol?
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol has a molecular weight of 299.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).