N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine

C14H15Br2NS — CID 102827553

IUPACN-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(C)s1)c1ccccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-14(10-6-4-5-7-11(10)15)13-8-12(16)9(2)18-13/h4-8,14,17H,3H2,1-2H3
InChIKeyNBIQALXMJYTDTO-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.28
Rot. Bonds4

About N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine

N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine (PubChem CID 102827553) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
PubChem CID102827553
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(C)s1)c1ccccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-14(10-6-4-5-7-11(10)15)13-8-12(16)9(2)18-13/h4-8,14,17H,3H2,1-2H3
InChIKeyNBIQALXMJYTDTO-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-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 102827690
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 102827536
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
N-[(4,5-dibromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 80533829
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 102827561
N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488450
N-[(4-bromo-5-methylthiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 102827722
N-[(5-bromo-4-methylthiophen-2-yl)-(2-bromophenyl)methyl]propan-1-amine
CID 79992525
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 102827456
N-[(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 102827672
N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827933

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine (CID 102827553) is N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine is CCNC(c1cc(Br)c(C)s1)c1ccccc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine?
The InChIKey is NBIQALXMJYTDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-3-17-14(10-6-4-5-7-11(10)15)13-8-12(16)9(2)18-13/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine?
N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)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-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 102827553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).