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

C15H25BrN2O — CID 62629443

IUPAC1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCOC)CCC(NC)c1ccccc1Br
InChIInChI=1S/C15H25BrN2O/c1-4-18(11-12-19-3)10-9-15(17-2)13-7-5-6-8-14(13)16/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyLKKOMXUBIAVOJG-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.07
Rot. Bonds9

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

1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine (PubChem CID 62629443) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
PubChem CID62629443
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCOC)CCC(NC)c1ccccc1Br
InChIInChI=1S/C15H25BrN2O/c1-4-18(11-12-19-3)10-9-15(17-2)13-7-5-6-8-14(13)16/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyLKKOMXUBIAVOJG-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

Analyze 1-(2-bromophenyl)-N'-ethyl-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'-[2-(dimethylamino)ethyl]-N-methyl-N'-propylpropane-1,3-diamine
CID 62629274
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(2-bromophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112665006
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011
N'-butan-2-yl-N'-(2-methoxyethyl)-N-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62624514
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine (CID 62629443) is 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine is CCN(CCOC)CCC(NC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The InChIKey is LKKOMXUBIAVOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-18(11-12-19-3)10-9-15(17-2)13-7-5-6-8-14(13)16/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-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-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 62629443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).