1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

C11H11BrClNOS — CID 114820351

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1coc(C)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H11BrClNOS/c1-6-3-7(5-15-6)10(14-2)9-4-8(13)11(12)16-9/h3-5,10,14H,1-2H3
InChIKeyZJJWNOYCKXXHPE-UHFFFAOYSA-N
MW320.64 g/mol
LogP4.37
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 114820351) has the molecular formula C11H11BrClNOS and a molecular weight of 320.64 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID114820351
Molecular FormulaC11H11BrClNOS
Molecular Weight320.64 g/mol
Exact Mass318.94
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1coc(C)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H11BrClNOS/c1-6-3-7(5-15-6)10(14-2)9-4-8(13)11(12)16-9/h3-5,10,14H,1-2H3
InChIKeyZJJWNOYCKXXHPE-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 114019799
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998838
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628654
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 80531387
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 80531204
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 80531221
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 114820351) is 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CNC(c1coc(C)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is ZJJWNOYCKXXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNOS/c1-6-3-7(5-15-6)10(14-2)9-4-8(13)11(12)16-9/h3-5,10,14H,1-2H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine has a molecular weight of 320.64 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114820351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).