1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine

C14H15Cl2NS — CID 115842355

IUPAC1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-2-9-6-7-10(18-9)8-13(17)14-11(15)4-3-5-12(14)16/h3-7,13H,2,8,17H2,1H3
InChIKeyVEZRVSBPSVYRQW-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine

1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115842355) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115842355
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-2-9-6-7-10(18-9)8-13(17)14-11(15)4-3-5-12(14)16/h3-7,13H,2,8,17H2,1H3
InChIKeyVEZRVSBPSVYRQW-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
2-(5-ethylthiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716426
1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63412354
2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine (CID 115842355) is 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(CC(N)c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is VEZRVSBPSVYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-2-9-6-7-10(18-9)8-13(17)14-11(15)4-3-5-12(14)16/h3-7,13H,2,8,17H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115842355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).