2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine

C10H11BrN2S2 — CID 66386783

IUPAC2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc(Br)s1
InChIInChI=1S/C10H11BrN2S2/c11-10-2-1-7(15-10)5-13-6-9-8(12)3-4-14-9/h1-4,13H,5-6,12H2
InChIKeyDXAKTYPYTOEJOZ-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.44
Rot. Bonds4

About 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine

2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine (PubChem CID 66386783) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine
PubChem CID66386783
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC Name2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc(Br)s1
InChIInChI=1S/C10H11BrN2S2/c11-10-2-1-7(15-10)5-13-6-9-8(12)3-4-14-9/h1-4,13H,5-6,12H2
InChIKeyDXAKTYPYTOEJOZ-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-3-amine
CID 66385189
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2,6-dichloroaniline
CID 82840620
N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
CID 62347257
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
4-[[(5-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60744040
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
CID 106370731
2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine
CID 115517498
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
CID 77030355
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine (CID 66386783) is 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCc1ccc(Br)s1.
What is the InChIKey of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine?
The InChIKey is DXAKTYPYTOEJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c11-10-2-1-7(15-10)5-13-6-9-8(12)3-4-14-9/h1-4,13H,5-6,12H2.
What are the key properties of 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine?
2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine has a molecular weight of 303.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).