(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine

C13H13BrClNO2S — CID 80530686

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C13H13BrClNO2S/c1-17-7-3-4-10(18-2)8(5-7)12(16)11-6-9(15)13(14)19-11/h3-6,12H,16H2,1-2H3
InChIKeyQHVAOMOAXSRIKD-UHFFFAOYSA-N
MW362.68 g/mol
LogP4.23
Rot. Bonds4

About (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine (PubChem CID 80530686) has the molecular formula C13H13BrClNO2S and a molecular weight of 362.68 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
PubChem CID80530686
Molecular FormulaC13H13BrClNO2S
Molecular Weight362.68 g/mol
Exact Mass360.95
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C13H13BrClNO2S/c1-17-7-3-4-10(18-2)8(5-7)12(16)11-6-9(15)13(14)19-11/h3-6,12H,16H2,1-2H3
InChIKeyQHVAOMOAXSRIKD-UHFFFAOYSA-N
XLogP4.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)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

(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
CID 80531065
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113223365
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
CID 80530800
2,3-dibromo-5-[chloro-(2,5-dimethoxyphenyl)methyl]thiophene
CID 80534556
2-bromo-5-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-chlorothiophene
CID 80533464
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine (CID 80530686) is (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(C(N)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine?
The InChIKey is QHVAOMOAXSRIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S/c1-17-7-3-4-10(18-2)8(5-7)12(16)11-6-9(15)13(14)19-11/h3-6,12H,16H2,1-2H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine has a molecular weight of 362.68 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 80530686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).