1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H24BrN3O — CID 66054404

IUPAC1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN3O/c1-18(2)9-13-7-14(20)10-19(13)15(8-17)11-4-3-5-12(16)6-11/h3-6,13-15,20H,7-10,17H2,1-2H3
InChIKeyQCJRMORGEVWSAF-UHFFFAOYSA-N
MW342.28 g/mol
LogP1.45
Rot. Bonds5

About 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66054404) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66054404
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN3O/c1-18(2)9-13-7-14(20)10-19(13)15(8-17)11-4-3-5-12(16)6-11/h3-6,13-15,20H,7-10,17H2,1-2H3
InChIKeyQCJRMORGEVWSAF-UHFFFAOYSA-N
XLogP1.45
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66054404) is 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is QCJRMORGEVWSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-18(2)9-13-7-14(20)10-19(13)15(8-17)11-4-3-5-12(16)6-11/h3-6,13-15,20H,7-10,17H2,1-2H3.
What are the key properties of 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 342.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-bromophenyl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).