(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H10BrClFNS — CID 171201796

IUPAC(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H9BrFNS.ClH/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeyQBAJUVNGCFMFAS-MERQFXBCSA-N
MW322.63 g/mol
LogP4.12
Rot. Bonds2

About (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171201796) has the molecular formula C11H10BrClFNS and a molecular weight of 322.63 g/mol. Its IUPAC name is (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171201796
Molecular FormulaC11H10BrClFNS
Molecular Weight322.63 g/mol
Exact Mass320.94
IUPAC Name(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H9BrFNS.ClH/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeyQBAJUVNGCFMFAS-MERQFXBCSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride 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

(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
CID 80529738
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171201796) is (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1ccc(Br)c(F)c1.
What is the InChIKey of (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is QBAJUVNGCFMFAS-MERQFXBCSA-N. The full InChI is InChI=1S/C11H9BrFNS.ClH/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8;/h1-6,11H,14H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 322.63 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171201796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).