(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine

C12H10Cl2FNOS — CID 107960548

IUPAC(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl2FNOS/c1-17-9-3-2-6(15)4-7(9)11(16)8-5-10(13)18-12(8)14/h2-5,11H,16H2,1H3
InChIKeyXQRXDEKGKUIQAT-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.25
Rot. Bonds3

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

(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 107960548) has the molecular formula C12H10Cl2FNOS and a molecular weight of 306.19 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID107960548
Molecular FormulaC12H10Cl2FNOS
Molecular Weight306.19 g/mol
Exact Mass304.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl2FNOS/c1-17-9-3-2-6(15)4-7(9)11(16)8-5-10(13)18-12(8)14/h2-5,11H,16H2,1H3
InChIKeyXQRXDEKGKUIQAT-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)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
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 107960548) is (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine is COc1ccc(F)cc1C(N)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is XQRXDEKGKUIQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNOS/c1-17-9-3-2-6(15)4-7(9)11(16)8-5-10(13)18-12(8)14/h2-5,11H,16H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 306.19 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 107960548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).