1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

C14H15Cl2NS — CID 43486831

IUPAC1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-8-4-5-10(9(2)6-8)13(17-3)11-7-12(15)18-14(11)16/h4-7,13,17H,1-3H3
InChIKeyBLGDGDIVBISATQ-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.98
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 43486831) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID43486831
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1C)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-8-4-5-10(9(2)6-8)13(17-3)11-7-12(15)18-14(11)16/h4-7,13,17H,1-3H3
InChIKeyBLGDGDIVBISATQ-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 107961061
3-[bromo-(2,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 63444945
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43486821
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 107968631
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(2,5-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486861
1-(2-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486843
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337
[(2,5-dichlorothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 107970130
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (CID 43486831) is 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)cc1C)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is BLGDGDIVBISATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-8-4-5-10(9(2)6-8)13(17-3)11-7-12(15)18-14(11)16/h4-7,13,17H,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43486831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).