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

C16H21BrN2S — CID 62630300

IUPAC1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CCC(N)c1ccccc1Br
InChIInChI=1S/C16H21BrN2S/c1-12(16-8-5-11-20-16)19(2)10-9-15(18)13-6-3-4-7-14(13)17/h3-8,11-12,15H,9-10,18H2,1-2H3
InChIKeyRKQYOJGNVCFLDL-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.59
Rot. Bonds6

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

1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 62630300) has the molecular formula C16H21BrN2S and a molecular weight of 353.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID62630300
Molecular FormulaC16H21BrN2S
Molecular Weight353.33 g/mol
Exact Mass352.06
IUPAC Name1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CCC(N)c1ccccc1Br
InChIInChI=1S/C16H21BrN2S/c1-12(16-8-5-11-20-16)19(2)10-9-15(18)13-6-3-4-7-14(13)17/h3-8,11-12,15H,9-10,18H2,1-2H3
InChIKeyRKQYOJGNVCFLDL-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
CID 62625441
1-(4-bromo-2-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 82777674
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'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 55098123
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (CID 62630300) is 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is CC(c1cccs1)N(C)CCC(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is RKQYOJGNVCFLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2S/c1-12(16-8-5-11-20-16)19(2)10-9-15(18)13-6-3-4-7-14(13)17/h3-8,11-12,15H,9-10,18H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 353.33 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62630300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).