4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C13H14Br2N2S — CID 43746316

IUPAC4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1cc(Br)cs1
InChIInChI=1S/C13H14Br2N2S/c1-17(2)13-4-3-9(14)6-12(13)16-7-11-5-10(15)8-18-11/h3-6,8,16H,7H2,1-2H3
InChIKeyKBRIDXBRBKAUTD-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.95
Rot. Bonds4

About 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43746316) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43746316
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC Name4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1cc(Br)cs1
InChIInChI=1S/C13H14Br2N2S/c1-17(2)13-4-3-9(14)6-12(13)16-7-11-5-10(15)8-18-11/h3-6,8,16H,7H2,1-2H3
InChIKeyKBRIDXBRBKAUTD-UHFFFAOYSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 54883288
4-bromo-1-N,1-N-dimethyl-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43231807
4-bromo-2-N-(2,2-dimethoxyethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 63696353
4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105401355
4-bromo-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231794
4-bromo-2-N-[(3-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231812
4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 83230493
N-[(4-bromothiophen-2-yl)methyl]-2,4-dimethylaniline
CID 28972836
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylaniline
CID 28972854
N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
CID 28972942
4-bromo-1-N,1-N-dimethyl-2-N-[(5-nitrofuran-2-yl)methyl]benzene-1,2-diamine
CID 43791135
4-bromo-2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43804435

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43746316) is 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is KBRIDXBRBKAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-17(2)13-4-3-9(14)6-12(13)16-7-11-5-10(15)8-18-11/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 390.14 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43746316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).