N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine

C13H13Cl2NS — CID 15887858

IUPACN-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1cccc(Cl)c1CNCCc1cccs1
InChIInChI=1S/C13H13Cl2NS/c14-12-4-1-5-13(15)11(12)9-16-7-6-10-3-2-8-17-10/h1-5,8,16H,6-7,9H2
InChIKeyFHDBUFHBLYKRRE-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.39
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine

N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 15887858) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID15887858
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1cccc(Cl)c1CNCCc1cccs1
InChIInChI=1S/C13H13Cl2NS/c14-12-4-1-5-13(15)11(12)9-16-7-6-10-3-2-8-17-10/h1-5,8,16H,6-7,9H2
InChIKeyFHDBUFHBLYKRRE-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 115576261
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;methyl formate
CID 143603679
2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-[[3-chloro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115953152
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
CID 60695451

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine (CID 15887858) is N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine is Clc1cccc(Cl)c1CNCCc1cccs1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is FHDBUFHBLYKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c14-12-4-1-5-13(15)11(12)9-16-7-6-10-3-2-8-17-10/h1-5,8,16H,6-7,9H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine?
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.39, 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)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 15887858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).