N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine

C13H13Cl2NS — CID 43492782

IUPACN-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-2-16-13(10-5-6-17-8-10)9-3-4-11(14)12(15)7-9/h3-8,13,16H,2H2,1H3
InChIKeyYZMDGIGYMDTUAR-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.75
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine

N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 43492782) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID43492782
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC NameN-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-2-16-13(10-5-6-17-8-10)9-3-4-11(14)12(15)7-9/h3-8,13,16H,2H2,1H3
InChIKeyYZMDGIGYMDTUAR-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine (CID 43492782) is N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is YZMDGIGYMDTUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-2-16-13(10-5-6-17-8-10)9-3-4-11(14)12(15)7-9/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 43492782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).