(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine

C13H13Cl2NS — CID 43344864

IUPAC(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-7-3-4-8(2)9(5-7)12(16)10-6-11(14)17-13(10)15/h3-6,12H,16H2,1-2H3
InChIKeyPFSDIKQPDMAXSQ-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.72
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine

(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine (PubChem CID 43344864) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
PubChem CID43344864
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-7-3-4-8(2)9(5-7)12(16)10-6-11(14)17-13(10)15/h3-6,12H,16H2,1-2H3
InChIKeyPFSDIKQPDMAXSQ-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
3-[bromo-(2,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 63444945
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
[(2,5-dichlorothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107970618
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine (CID 43344864) is (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine?
The InChIKey is PFSDIKQPDMAXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-7-3-4-8(2)9(5-7)12(16)10-6-11(14)17-13(10)15/h3-6,12H,16H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine has a molecular weight of 286.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 43344864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).