N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine

C13H12Br2ClNS — CID 107947216

IUPACN-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Br)c1sccc1Cl
InChIInChI=1S/C13H12Br2ClNS/c1-2-17-12(13-11(16)5-6-18-13)9-4-3-8(14)7-10(9)15/h3-7,12,17H,2H2,1H3
InChIKeyBSRFFONZUIDUTP-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.63
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine (PubChem CID 107947216) has the molecular formula C13H12Br2ClNS and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
PubChem CID107947216
Molecular FormulaC13H12Br2ClNS
Molecular Weight409.57 g/mol
Exact Mass406.87
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Br)c1sccc1Cl
InChIInChI=1S/C13H12Br2ClNS/c1-2-17-12(13-11(16)5-6-18-13)9-4-3-8(14)7-10(9)15/h3-7,12,17H,2H2,1H3
InChIKeyBSRFFONZUIDUTP-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine 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

N-[(2-bromo-5-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 80528998
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80536325
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
N-[(2-bromophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80529530
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine
CID 65279726
N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 80645048

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine (CID 107947216) is N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1Br)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine?
The InChIKey is BSRFFONZUIDUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClNS/c1-2-17-12(13-11(16)5-6-18-13)9-4-3-8(14)7-10(9)15/h3-7,12,17H,2H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine has a molecular weight of 409.57 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine is sourced from PubChem (CID 107947216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).