N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

C14H15Br2NS — CID 43489620

IUPACN-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-14(13-7-4-9(2)18-13)11-8-10(15)5-6-12(11)16/h4-8,14,17H,3H2,1-2H3
InChIKeyYWNMKCKHAJJQRP-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.28
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43489620) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43489620
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC NameN-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-14(13-7-4-9(2)18-13)11-8-10(15)5-6-12(11)16/h4-8,14,17H,3H2,1-2H3
InChIKeyYWNMKCKHAJJQRP-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43491679
N-[(2-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81109636
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(3-bromo-2,6-difluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 106944922
1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107946211
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(5-tert-butylthiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107950847
N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488446

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 43489620) is N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1cc(Br)ccc1Br.
What is the InChIKey of N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YWNMKCKHAJJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-3-17-14(13-7-4-9(2)18-13)11-8-10(15)5-6-12(11)16/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43489620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).