1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine

C15H23BrN2O2 — CID 103539140

IUPAC1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
SMILESCOC1CN(CCC(N)c2cccc(Br)c2)CC1OC
InChIInChI=1S/C15H23BrN2O2/c1-19-14-9-18(10-15(14)20-2)7-6-13(17)11-4-3-5-12(16)8-11/h3-5,8,13-15H,6-7,9-10,17H2,1-2H3
InChIKeyOYRHHMTXAAJYLE-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.18
Rot. Bonds6

About 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine

1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine (PubChem CID 103539140) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
PubChem CID103539140
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
SMILESCOC1CN(CCC(N)c2cccc(Br)c2)CC1OC
InChIInChI=1S/C15H23BrN2O2/c1-19-14-9-18(10-15(14)20-2)7-6-13(17)11-4-3-5-12(16)8-11/h3-5,8,13-15H,6-7,9-10,17H2,1-2H3
InChIKeyOYRHHMTXAAJYLE-UHFFFAOYSA-N
XLogP2.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine 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-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539152
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62617221
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
CID 62619458
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)-4-methylpentane-1,4-diamine
CID 116934811
1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine (CID 103539140) is 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine is COC1CN(CCC(N)c2cccc(Br)c2)CC1OC.
What is the InChIKey of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The InChIKey is OYRHHMTXAAJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-19-14-9-18(10-15(14)20-2)7-6-13(17)11-4-3-5-12(16)8-11/h3-5,8,13-15H,6-7,9-10,17H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine has a molecular weight of 343.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 103539140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).