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

C10H8Br2ClNS2 — CID 102835913

IUPAC1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cc(Br)c(Br)s2)s1
InChIInChI=1S/C10H8Br2ClNS2/c11-8-3-7(16-10(8)12)5-14-4-6-1-2-9(13)15-6/h1-3,14H,4-5H2
InChIKeyGWBLNBYFYMYGPR-UHFFFAOYSA-N
MW401.58 g/mol
LogP5.28
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (PubChem CID 102835913) has the molecular formula C10H8Br2ClNS2 and a molecular weight of 401.58 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
PubChem CID102835913
Molecular FormulaC10H8Br2ClNS2
Molecular Weight401.58 g/mol
Exact Mass398.82
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cc(Br)c(Br)s2)s1
InChIInChI=1S/C10H8Br2ClNS2/c11-8-3-7(16-10(8)12)5-14-4-6-1-2-9(13)15-6/h1-3,14H,4-5H2
InChIKeyGWBLNBYFYMYGPR-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 102835230
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4,5-dibromothiophen-2-yl)methanamine
CID 103292056
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
3,4-dichloro-N-[(4,5-dibromothiophen-2-yl)methyl]aniline
CID 102830389
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 62047154
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 102834175

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (CID 102835913) is 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is Clc1ccc(CNCc2cc(Br)c(Br)s2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The InChIKey is GWBLNBYFYMYGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClNS2/c11-8-3-7(16-10(8)12)5-14-4-6-1-2-9(13)15-6/h1-3,14H,4-5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine has a molecular weight of 401.58 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 102835913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).