N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C15H17Cl2NS — CID 43494208

IUPACN-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NS/c1-3-9-18-15(13-8-7-10(2)19-13)14-11(16)5-4-6-12(14)17/h4-8,15,18H,3,9H2,1-2H3
InChIKeyWVLJGQXJJNDSOI-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.45
Rot. Bonds5

About N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43494208) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43494208
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2NS/c1-3-9-18-15(13-8-7-10(2)19-13)14-11(16)5-4-6-12(14)17/h4-8,15,18H,3,9H2,1-2H3
InChIKeyWVLJGQXJJNDSOI-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
CID 63502746
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[(5-bromo-4-methylthiophen-2-yl)-(2-chloro-6-fluorophenyl)methyl]propan-1-amine
CID 79991025
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105161984
N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494394
N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63048599
N-[(3-bromo-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81472156
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 113329640

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 43494208) is N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WVLJGQXJJNDSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-9-18-15(13-8-7-10(2)19-13)14-11(16)5-4-6-12(14)17/h4-8,15,18H,3,9H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 314.28 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43494208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).