1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine

C17H23BrN2S — CID 79471927

IUPAC1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1Br)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H23BrN2S/c1-12(11-14-7-6-10-21-14)20(3)17(13(2)19)15-8-4-5-9-16(15)18/h4-10,12-13,17H,11,19H2,1-3H3
InChIKeyYXNCYKRFOBRSDQ-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.46
Rot. Bonds6

About 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine

1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine (PubChem CID 79471927) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
PubChem CID79471927
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC Name1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1Br)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H23BrN2S/c1-12(11-14-7-6-10-21-14)20(3)17(13(2)19)15-8-4-5-9-16(15)18/h4-10,12-13,17H,11,19H2,1-3H3
InChIKeyYXNCYKRFOBRSDQ-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79476253
1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 55022491
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 102839687
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine (CID 79471927) is 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine is CC(N)C(c1ccccc1Br)N(C)C(C)Cc1cccs1.
What is the InChIKey of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The InChIKey is YXNCYKRFOBRSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-12(11-14-7-6-10-21-14)20(3)17(13(2)19)15-8-4-5-9-16(15)18/h4-10,12-13,17H,11,19H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine has a molecular weight of 367.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 79471927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).