1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine

C17H29BrN2 — CID 63495598

IUPAC1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C17H29BrN2/c1-6-19-16(14-9-7-8-10-15(14)18)11-12-20(5)13-17(2,3)4/h7-10,16,19H,6,11-13H2,1-5H3
InChIKeyMJUROVSIMMGQEK-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.47
Rot. Bonds7

About 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine

1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 63495598) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
PubChem CID63495598
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C17H29BrN2/c1-6-19-16(14-9-7-8-10-15(14)18)11-12-20(5)13-17(2,3)4/h7-10,16,19H,6,11-13H2,1-5H3
InChIKeyMJUROVSIMMGQEK-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-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-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 62624752
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
1-(4-bromophenyl)-N'-(2,2-dimethylpropyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 63493931
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine (CID 63495598) is 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine is CCNC(CCN(C)CC(C)(C)C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is MJUROVSIMMGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-6-19-16(14-9-7-8-10-15(14)18)11-12-20(5)13-17(2,3)4/h7-10,16,19H,6,11-13H2,1-5H3.
What are the key properties of 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine?
1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63495598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).