1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C13H13Cl2NS — CID 113225343

IUPAC1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-9-2-3-17-13(9)8-16-7-10-4-11(14)6-12(15)5-10/h2-6,16H,7-8H2,1H3
InChIKeyTVUWWDVISWAUHI-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.65
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 113225343) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID113225343
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-9-2-3-17-13(9)8-16-7-10-4-11(14)6-12(15)5-10/h2-6,16H,7-8H2,1H3
InChIKeyTVUWWDVISWAUHI-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-6-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 78916524
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78912538
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103998382
1-(5-chlorofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78911556
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
N-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 113225343) is 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is TVUWWDVISWAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-9-2-3-17-13(9)8-16-7-10-4-11(14)6-12(15)5-10/h2-6,16H,7-8H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 286.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 113225343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).