N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine

C13H12BrClFNS — CID 43492017

IUPACN-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C13H12BrClFNS/c1-2-17-13(11-5-6-12(15)18-11)9-4-3-8(14)7-10(9)16/h3-7,13,17H,2H2,1H3
InChIKeyHMFRLXNKZRXXRU-UHFFFAOYSA-N
MW348.67 g/mol
LogP5.00
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine

N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 43492017) has the molecular formula C13H12BrClFNS and a molecular weight of 348.67 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID43492017
Molecular FormulaC13H12BrClFNS
Molecular Weight348.67 g/mol
Exact Mass346.95
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C13H12BrClFNS/c1-2-17-13(11-5-6-12(15)18-11)9-4-3-8(14)7-10(9)16/h3-7,13,17H,2H2,1H3
InChIKeyHMFRLXNKZRXXRU-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.67
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-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-[[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
CID 145983810
4-(4-Bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
CID 54586617
2-Thenylamine, alpha-(p-bromobenzyl)-N-isopropyl-, hydrochloride
CID 3062011
1-(3-Bromothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103042959
2-(3-chloro-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 103042978
N-[2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 103043000
N-[2-(3-chloro-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 103043002
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043049
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 103043070
N-[2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 103043071
2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 103043341
2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 103043346

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine (CID 43492017) is N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is HMFRLXNKZRXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNS/c1-2-17-13(11-5-6-12(15)18-11)9-4-3-8(14)7-10(9)16/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 348.67 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43492017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).