1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine

C15H25BrN2O — CID 81074862

IUPAC1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCOCCN(C)CCC(NC)c1ccc(Br)cc1
InChIInChI=1S/C15H25BrN2O/c1-4-19-12-11-18(3)10-9-15(17-2)13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyAHYFGWLUYBOFNK-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.07
Rot. Bonds9

About 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine

1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 81074862) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID81074862
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCOCCN(C)CCC(NC)c1ccc(Br)cc1
InChIInChI=1S/C15H25BrN2O/c1-4-19-12-11-18(3)10-9-15(17-2)13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyAHYFGWLUYBOFNK-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 81074409
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664
1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
CID 102997097
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495173

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine (CID 81074862) is 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine is CCOCCN(C)CCC(NC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is AHYFGWLUYBOFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-19-12-11-18(3)10-9-15(17-2)13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 81074862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).