N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

C15H18BrNS — CID 43488443

IUPACN-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc(CC)s1
InChIInChI=1S/C15H18BrNS/c1-3-13-9-10-14(18-13)15(17-4-2)11-5-7-12(16)8-6-11/h5-10,15,17H,3-4H2,1-2H3
InChIKeyRBQPTEJRRFOWIP-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.77
Rot. Bonds5

About N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488443) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID43488443
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc(CC)s1
InChIInChI=1S/C15H18BrNS/c1-3-13-9-10-14(18-13)15(17-4-2)11-5-7-12(16)8-6-11/h5-10,15,17H,3-4H2,1-2H3
InChIKeyRBQPTEJRRFOWIP-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)-(5-ethylthiophen-2-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-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 82875565
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488450
N-[(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 115368910
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[(2,5-dibromo-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81473406
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488446
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 43488443) is N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1ccc(CC)s1.
What is the InChIKey of N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is RBQPTEJRRFOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-13-9-10-14(18-13)15(17-4-2)11-5-7-12(16)8-6-11/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).