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

C15H17Br2NS — CID 43493204

IUPACN-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1C)c1cc(Br)sc1Br
InChIInChI=1S/C15H17Br2NS/c1-4-18-14(12-8-13(16)19-15(12)17)11-7-9(2)5-6-10(11)3/h5-8,14,18H,4H2,1-3H3
InChIKeyOFAZPONGWFPBCS-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.59
Rot. Bonds4

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

N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine (PubChem CID 43493204) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine
PubChem CID43493204
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1C)c1cc(Br)sc1Br
InChIInChI=1S/C15H17Br2NS/c1-4-18-14(12-8-13(16)19-15(12)17)11-7-9(2)5-6-10(11)3/h5-8,14,18H,4H2,1-3H3
InChIKeyOFAZPONGWFPBCS-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43629866
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[(4-tert-butylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43493260
N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 79992193
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(2-chloro-4,5-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107961474
N-[(4-bromo-3-chlorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 81290003
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 114021205
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
N-[(3-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107950429

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine (CID 43493204) is N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1C)c1cc(Br)sc1Br.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is OFAZPONGWFPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-4-18-14(12-8-13(16)19-15(12)17)11-7-9(2)5-6-10(11)3/h5-8,14,18H,4H2,1-3H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine?
N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 403.18 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43493204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).