1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine

C17H28BrN3 — CID 79310265

IUPAC1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCN1CCCC1CN(C)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN3/c1-3-21-11-4-5-16(21)13-20(2)12-10-17(19)14-6-8-15(18)9-7-14/h6-9,16-17H,3-5,10-13,19H2,1-2H3
InChIKeyOSUFMCHWTXUMRK-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.26
Rot. Bonds7

About 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine

1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 79310265) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID79310265
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCN1CCCC1CN(C)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN3/c1-3-21-11-4-5-16(21)13-20(2)12-10-17(19)14-6-8-15(18)9-7-14/h6-9,16-17H,3-5,10-13,19H2,1-2H3
InChIKeyOSUFMCHWTXUMRK-UHFFFAOYSA-N
XLogP3.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine 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-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310280
N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 79310287
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
CID 79304239
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine (CID 79310265) is 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine is CCN1CCCC1CN(C)CCC(N)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is OSUFMCHWTXUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-3-21-11-4-5-16(21)13-20(2)12-10-17(19)14-6-8-15(18)9-7-14/h6-9,16-17H,3-5,10-13,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 354.34 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 79310265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).