1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine

C12H11Br2NS — CID 107938689

IUPAC1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cccs2)c(Br)c1
InChIInChI=1S/C12H11Br2NS/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2
InChIKeyAAZYUGYJGTZDLC-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.56
Rot. Bonds4

About 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 107938689) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID107938689
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cccs2)c(Br)c1
InChIInChI=1S/C12H11Br2NS/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2
InChIKeyAAZYUGYJGTZDLC-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol
CID 115741779
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213031
3-bromo-4-[(2-thiophen-2-ylethylamino)methyl]benzoic acid
CID 103235545
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
5-bromo-2-[(thiophen-2-ylmethylamino)methyl]pyridin-3-ol
CID 167933826
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 165445282
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 107938689) is 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine is Brc1ccc(CNCc2cccs2)c(Br)c1.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is AAZYUGYJGTZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2.
What are the key properties of 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 361.10 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 107938689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).