(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine

C12H10BrCl2NOS — CID 113296008

IUPAC(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10BrCl2NOS/c1-17-9-4-6(13)2-3-7(9)11(16)8-5-10(14)18-12(8)15/h2-5,11H,16H2,1H3
InChIKeySUCSCYGAMRMIBT-UHFFFAOYSA-N
MW367.10 g/mol
LogP4.87
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine

(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 113296008) has the molecular formula C12H10BrCl2NOS and a molecular weight of 367.10 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID113296008
Molecular FormulaC12H10BrCl2NOS
Molecular Weight367.10 g/mol
Exact Mass364.90
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10BrCl2NOS/c1-17-9-4-6(13)2-3-7(9)11(16)8-5-10(14)18-12(8)15/h2-5,11H,16H2,1H3
InChIKeySUCSCYGAMRMIBT-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.10
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine 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

(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107960554
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 113296008) is (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine is COc1cc(Br)ccc1C(N)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is SUCSCYGAMRMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NOS/c1-17-9-4-6(13)2-3-7(9)11(16)8-5-10(14)18-12(8)15/h2-5,11H,16H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 367.10 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 113296008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).