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

C13H21BrN2O — CID 62625043

IUPAC1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCOCCN(C)CCC(N)c1ccccc1Br
InChIInChI=1S/C13H21BrN2O/c1-16(9-10-17-2)8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13H,7-10,15H2,1-2H3
InChIKeyPLDMQNPZQBXVEN-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.42
Rot. Bonds7

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

1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine (PubChem CID 62625043) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
PubChem CID62625043
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCOCCN(C)CCC(N)c1ccccc1Br
InChIInChI=1S/C13H21BrN2O/c1-16(9-10-17-2)8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13H,7-10,15H2,1-2H3
InChIKeyPLDMQNPZQBXVEN-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-N'-(2-methoxyethyl)-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'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 55098123
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82949019
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine (CID 62625043) is 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine is COCCN(C)CCC(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is PLDMQNPZQBXVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-16(9-10-17-2)8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13H,7-10,15H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 301.23 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62625043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).