(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine

C13H13Cl2NOS — CID 43344866

IUPAC(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)sc2Cl)ccc1C
InChIInChI=1S/C13H13Cl2NOS/c1-7-3-4-8(5-10(7)17-2)12(16)9-6-11(14)18-13(9)15/h3-6,12H,16H2,1-2H3
InChIKeyFQABEAHVDCSFLJ-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.42
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine

(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine (PubChem CID 43344866) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
PubChem CID43344866
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)sc2Cl)ccc1C
InChIInChI=1S/C13H13Cl2NOS/c1-7-3-4-8(5-10(7)17-2)12(16)9-6-11(14)18-13(9)15/h3-6,12H,16H2,1-2H3
InChIKeyFQABEAHVDCSFLJ-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
3-[bromo-(3,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 55200123
(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107960554
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine (CID 43344866) is (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine is COc1cc(C(N)c2cc(Cl)sc2Cl)ccc1C.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine?
The InChIKey is FQABEAHVDCSFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c1-7-3-4-8(5-10(7)17-2)12(16)9-6-11(14)18-13(9)15/h3-6,12H,16H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine has a molecular weight of 302.23 g/mol, XLogP of 4.42, 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)-(3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 43344866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).