1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

C11H11Br2NS2 — CID 102836527

IUPAC1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
SMILESCc1cscc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C11H11Br2NS2/c1-7-5-15-6-8(7)3-14-4-9-2-10(12)11(13)16-9/h2,5-6,14H,3-4H2,1H3
InChIKeyYKOVVGJNBKRMOV-UHFFFAOYSA-N
MW381.16 g/mol
LogP4.93
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine (PubChem CID 102836527) has the molecular formula C11H11Br2NS2 and a molecular weight of 381.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
PubChem CID102836527
Molecular FormulaC11H11Br2NS2
Molecular Weight381.16 g/mol
Exact Mass378.87
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
SMILESCc1cscc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C11H11Br2NS2/c1-7-5-15-6-8(7)3-14-4-9-2-10(12)11(13)16-9/h2,5-6,14H,3-4H2,1H3
InChIKeyYKOVVGJNBKRMOV-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.16
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 102836534
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
2-bromo-5-[[(4-methylthiophen-3-yl)methylamino]methyl]aniline
CID 107814521
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 102835230
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460897
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine (CID 102836527) is 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine is Cc1cscc1CNCc1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The InChIKey is YKOVVGJNBKRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NS2/c1-7-5-15-6-8(7)3-14-4-9-2-10(12)11(13)16-9/h2,5-6,14H,3-4H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine has a molecular weight of 381.16 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine is sourced from PubChem (CID 102836527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).