1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine

C16H28BrN3 — CID 102997098

IUPAC1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C16H28BrN3/c1-4-20(11-6-10-19(2)3)12-9-16(18)14-7-5-8-15(17)13-14/h5,7-8,13,16H,4,6,9-12,18H2,1-3H3
InChIKeyWQGUXBRFFONDFY-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.11
Rot. Bonds9

About 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine

1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine (PubChem CID 102997098) has the molecular formula C16H28BrN3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
PubChem CID102997098
Molecular FormulaC16H28BrN3
Molecular Weight342.33 g/mol
Exact Mass341.15
IUPAC Name1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C16H28BrN3/c1-4-20(11-6-10-19(2)3)12-9-16(18)14-7-5-8-15(17)13-14/h5,7-8,13,16H,4,6,9-12,18H2,1-3H3
InChIKeyWQGUXBRFFONDFY-UHFFFAOYSA-N
XLogP3.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-bromophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63493466
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
CID 55099043
2-[[3-amino-3-(3-bromophenyl)propyl]-pentan-3-ylamino]ethanol
CID 62619127
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine (CID 102997098) is 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine is CCN(CCCN(C)C)CCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine?
The InChIKey is WQGUXBRFFONDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3/c1-4-20(11-6-10-19(2)3)12-9-16(18)14-7-5-8-15(17)13-14/h5,7-8,13,16H,4,6,9-12,18H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine has a molecular weight of 342.33 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 102997098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).