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

C12H10Cl2FNOS — CID 81283519

IUPAC(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)sc2Cl)ccc1F
InChIInChI=1S/C12H10Cl2FNOS/c1-17-9-4-6(2-3-8(9)15)11(16)7-5-10(13)18-12(7)14/h2-5,11H,16H2,1H3
InChIKeyPTBJNHROOGRZJP-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.25
Rot. Bonds3

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

(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 81283519) has the molecular formula C12H10Cl2FNOS and a molecular weight of 306.19 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID81283519
Molecular FormulaC12H10Cl2FNOS
Molecular Weight306.19 g/mol
Exact Mass304.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)sc2Cl)ccc1F
InChIInChI=1S/C12H10Cl2FNOS/c1-17-9-4-6(2-3-8(9)15)11(16)7-5-10(13)18-12(7)14/h2-5,11H,16H2,1H3
InChIKeyPTBJNHROOGRZJP-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

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 81283235
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine (CID 81283519) is (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2cc(Cl)sc2Cl)ccc1F.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is PTBJNHROOGRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNOS/c1-17-9-4-6(2-3-8(9)15)11(16)7-5-10(13)18-12(7)14/h2-5,11H,16H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-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)-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 81283519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).