N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine

C14H15BrClNS — CID 107993609

IUPACN-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-3-17-14(10-6-9(2)18-8-10)12-5-4-11(16)7-13(12)15/h4-8,14,17H,3H2,1-2H3
InChIKeyHBGIPUIOSHPVIL-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.17
Rot. Bonds4

About N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine

N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 107993609) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID107993609
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-3-17-14(10-6-9(2)18-8-10)12-5-4-11(16)7-13(12)15/h4-8,14,17H,3H2,1-2H3
InChIKeyHBGIPUIOSHPVIL-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)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-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107993607
N-[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992938
N-[(2-bromo-4-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107994518
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435
N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107987414
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(4-bromo-2,6-difluorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991452
N-[(2-bromo-4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107992961
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
N-[(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
CID 107987595

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine (CID 107993609) is N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1csc(C)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is HBGIPUIOSHPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-3-17-14(10-6-9(2)18-8-10)12-5-4-11(16)7-13(12)15/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 107993609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).