4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline

C12H13BrN2S — CID 116936887

IUPAC4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)c2cc(Br)cs2)cc1
InChIInChI=1S/C12H13BrN2S/c1-15-10-4-2-8(3-5-10)12(14)11-6-9(13)7-16-11/h2-7,12,15H,14H2,1H3
InChIKeyWHQQYLQVJBLDBT-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.60
Rot. Bonds3

About 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline

4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline (PubChem CID 116936887) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline
PubChem CID116936887
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(N)c2cc(Br)cs2)cc1
InChIInChI=1S/C12H13BrN2S/c1-15-10-4-2-8(3-5-10)12(14)11-6-9(13)7-16-11/h2-7,12,15H,14H2,1H3
InChIKeyWHQQYLQVJBLDBT-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
CID 107560292
(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245706
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 113425095
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
CID 116936917
4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 66273782
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949880

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline (CID 116936887) is 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline is CNc1ccc(C(N)c2cc(Br)cs2)cc1.
What is the InChIKey of 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline?
The InChIKey is WHQQYLQVJBLDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-15-10-4-2-8(3-5-10)12(14)11-6-9(13)7-16-11/h2-7,12,15H,14H2,1H3.
What are the key properties of 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline?
4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline has a molecular weight of 297.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116936887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).