N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C13H15BrClNS2 — CID 102828798

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(Cl)s1)c1sccc1C
InChIInChI=1S/C13H15BrClNS2/c1-3-5-16-11(12-8(2)4-6-17-12)10-7-9(14)13(15)18-10/h4,6-7,11,16H,3,5H2,1-2H3
InChIKeySYVLGZGQPLTKQI-UHFFFAOYSA-N
MW364.76 g/mol
LogP5.62
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 102828798) has the molecular formula C13H15BrClNS2 and a molecular weight of 364.76 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID102828798
Molecular FormulaC13H15BrClNS2
Molecular Weight364.76 g/mol
Exact Mass362.95
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(Cl)s1)c1sccc1C
InChIInChI=1S/C13H15BrClNS2/c1-3-5-16-11(12-8(2)4-6-17-12)10-7-9(14)13(15)18-10/h4,6-7,11,16H,3,5H2,1-2H3
InChIKeySYVLGZGQPLTKQI-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.76
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine 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-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 79992101
N-[(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 80535679
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359
N-[(4-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55195885
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-bromo-4-fluorophenyl)methyl]propan-1-amine
CID 102828790
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 102828676
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 107998958
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122006

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 102828798) is N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)c(Cl)s1)c1sccc1C.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is SYVLGZGQPLTKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNS2/c1-3-5-16-11(12-8(2)4-6-17-12)10-7-9(14)13(15)18-10/h4,6-7,11,16H,3,5H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 364.76 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102828798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).