1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine

C17H30BrN3 — CID 102997097

IUPAC1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCC(NC)c1ccc(Br)cc1
InChIInChI=1S/C17H30BrN3/c1-5-21(13-6-12-20(3)4)14-11-17(19-2)15-7-9-16(18)10-8-15/h7-10,17,19H,5-6,11-14H2,1-4H3
InChIKeyXDMUEQICFDODHG-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.37
Rot. Bonds10

About 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine

1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine (PubChem CID 102997097) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
PubChem CID102997097
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCC(NC)c1ccc(Br)cc1
InChIInChI=1S/C17H30BrN3/c1-5-21(13-6-12-20(3)4)14-11-17(19-2)15-7-9-16(18)10-8-15/h7-10,17,19H,5-6,11-14H2,1-4H3
InChIKeyXDMUEQICFDODHG-UHFFFAOYSA-N
XLogP3.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-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-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine
CID 81074862
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 79481550
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495173
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 64565771
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine (CID 102997097) is 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine is CCN(CCCN(C)C)CCC(NC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
The InChIKey is XDMUEQICFDODHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-5-21(13-6-12-20(3)4)14-11-17(19-2)15-7-9-16(18)10-8-15/h7-10,17,19H,5-6,11-14H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine has a molecular weight of 356.35 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 102997097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).