N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine

C13H13Cl2NS — CID 43182757

IUPACN-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H13Cl2NS/c1-9(12-6-3-7-17-12)16-8-10-4-2-5-11(14)13(10)15/h2-7,9,16H,8H2,1H3
InChIKeyZFYQWARKOOHHMX-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.91
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine

N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43182757) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43182757
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H13Cl2NS/c1-9(12-6-3-7-17-12)16-8-10-4-2-5-11(14)13(10)15/h2-7,9,16H,8H2,1H3
InChIKeyZFYQWARKOOHHMX-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
3-chloro-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 78959997
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
N-[(4-bromo-2-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 115651396
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine (CID 43182757) is N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1cccc(Cl)c1Cl)c1cccs1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZFYQWARKOOHHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-9(12-6-3-7-17-12)16-8-10-4-2-5-11(14)13(10)15/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine?
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43182757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).