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

C13H13Cl2NS — CID 65316186

IUPACN-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H13Cl2NS/c1-9-2-4-12(17-9)8-16-7-10-6-11(14)3-5-13(10)15/h2-6,16H,7-8H2,1H3
InChIKeyBRKWYFBEUXHLDL-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.65
Rot. Bonds4

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

N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 65316186) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
PubChem CID65316186
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H13Cl2NS/c1-9-2-4-12(17-9)8-16-7-10-6-11(14)3-5-13(10)15/h2-6,16H,7-8H2,1H3
InChIKeyBRKWYFBEUXHLDL-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

N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28992364
4-[[(2,5-dichlorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379948
N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 65316287
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzene-1,2-diol
CID 62054003
N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616826
2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 175132024
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
4-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 43681437

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine (CID 65316186) is N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine is Cc1ccc(CNCc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is BRKWYFBEUXHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-9-2-4-12(17-9)8-16-7-10-6-11(14)3-5-13(10)15/h2-6,16H,7-8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)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 N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 65316186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).