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

C10H8BrCl2NS2 — CID 102835909

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
SMILESClc1ccc(CNCc2cc(Br)c(Cl)s2)s1
InChIInChI=1S/C10H8BrCl2NS2/c11-8-3-7(16-10(8)13)5-14-4-6-1-2-9(12)15-6/h1-3,14H,4-5H2
InChIKeyATJQKAPOAKTEHF-UHFFFAOYSA-N
MW357.13 g/mol
LogP5.17
Rot. Bonds4

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

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine (PubChem CID 102835909) has the molecular formula C10H8BrCl2NS2 and a molecular weight of 357.13 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
PubChem CID102835909
Molecular FormulaC10H8BrCl2NS2
Molecular Weight357.13 g/mol
Exact Mass354.87
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
SMILESClc1ccc(CNCc2cc(Br)c(Cl)s2)s1
InChIInChI=1S/C10H8BrCl2NS2/c11-8-3-7(16-10(8)13)5-14-4-6-1-2-9(12)15-6/h1-3,14H,4-5H2
InChIKeyATJQKAPOAKTEHF-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.13
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 102831068
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 102837449
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 102837874
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 102835784
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
CID 102829948
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 102836241
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 102836982
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 102837533
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 102835699

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine (CID 102835909) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine is Clc1ccc(CNCc2cc(Br)c(Cl)s2)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is ATJQKAPOAKTEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NS2/c11-8-3-7(16-10(8)13)5-14-4-6-1-2-9(12)15-6/h1-3,14H,4-5H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 357.13 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 102835909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).