1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine

C18H23BrN2 — CID 65487295

IUPAC1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCc1ccccc1)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C18H23BrN2/c1-21(12-10-15-6-3-2-4-7-15)13-11-18(20)16-8-5-9-17(19)14-16/h2-9,14,18H,10-13,20H2,1H3
InChIKeyPWWLYBVMULLKTA-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.01
Rot. Bonds7

About 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine

1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine (PubChem CID 65487295) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
PubChem CID65487295
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCc1ccccc1)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C18H23BrN2/c1-21(12-10-15-6-3-2-4-7-15)13-11-18(20)16-8-5-9-17(19)14-16/h2-9,14,18H,10-13,20H2,1H3
InChIKeyPWWLYBVMULLKTA-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-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-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 174586130
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62617768
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine (CID 65487295) is 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine is CN(CCc1ccccc1)CCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is PWWLYBVMULLKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-21(12-10-15-6-3-2-4-7-15)13-11-18(20)16-8-5-9-17(19)14-16/h2-9,14,18H,10-13,20H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 65487295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).