N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine

C14H16BrNS — CID 114079312

IUPACN-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine
SMILESCCNCc1csc(C)c1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrNS/c1-3-16-8-12-9-17-10(2)14(12)11-5-4-6-13(15)7-11/h4-7,9,16H,3,8H2,1-2H3
InChIKeyZSJXATWARQBIPW-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.60
Rot. Bonds4

About N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine

N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine (PubChem CID 114079312) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine
PubChem CID114079312
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine
SMILESCCNCc1csc(C)c1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrNS/c1-3-16-8-12-9-17-10(2)14(12)11-5-4-6-13(15)7-11/h4-7,9,16H,3,8H2,1-2H3
InChIKeyZSJXATWARQBIPW-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(3-bromophenyl)-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-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-[[4-(4-bromophenyl)-5-methylthiophen-3-yl]methyl]-2,2,2-trifluoroethanamine
CID 114749197
N-[[3-(3-bromophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112177
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene
CID 165445038
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63498834
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
CID 79601644
N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
CID 117185619
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9489302
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine (CID 114079312) is N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine is CCNCc1csc(C)c1-c1cccc(Br)c1.
What is the InChIKey of N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine?
The InChIKey is ZSJXATWARQBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-3-16-8-12-9-17-10(2)14(12)11-5-4-6-13(15)7-11/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine?
N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)-5-methylthiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 114079312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).