N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine

C11H10Br2ClNS2 — CID 80536325

IUPACN-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Br)s1)c1sccc1Cl
InChIInChI=1S/C11H10Br2ClNS2/c1-2-15-9(10-7(14)3-4-16-10)8-5-6(12)11(13)17-8/h3-5,9,15H,2H2,1H3
InChIKeyHATHSRBRAASFII-UHFFFAOYSA-N
MW415.60 g/mol
LogP5.69
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine (PubChem CID 80536325) has the molecular formula C11H10Br2ClNS2 and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
PubChem CID80536325
Molecular FormulaC11H10Br2ClNS2
Molecular Weight415.60 g/mol
Exact Mass412.83
IUPAC NameN-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Br)s1)c1sccc1Cl
InChIInChI=1S/C11H10Br2ClNS2/c1-2-15-9(10-7(14)3-4-16-10)8-5-6(12)11(13)17-8/h3-5,9,15H,2H2,1H3
InChIKeyHATHSRBRAASFII-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 80534072
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359
N-[(4,5-dibromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 80533967
N-[(4,5-dibromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 80533737
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 79991980
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(4,5-dibromothiophen-2-yl)-phenylmethyl]ethanamine
CID 80533895
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
N-[(2-bromo-5-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 80528998
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine (CID 80536325) is N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine is CCNC(c1cc(Br)c(Br)s1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The InChIKey is HATHSRBRAASFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClNS2/c1-2-15-9(10-7(14)3-4-16-10)8-5-6(12)11(13)17-8/h3-5,9,15H,2H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine has a molecular weight of 415.60 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 80536325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).