1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine

C15H17BrN2S — CID 82969170

IUPAC1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Sc1ccncc1
InChIInChI=1S/C15H17BrN2S/c1-3-18-11(2)14-5-4-12(16)10-15(14)19-13-6-8-17-9-7-13/h4-11,18H,3H2,1-2H3
InChIKeyAPRBGNFYWBONMH-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.67
Rot. Bonds5

About 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine

1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine (PubChem CID 82969170) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
PubChem CID82969170
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Sc1ccncc1
InChIInChI=1S/C15H17BrN2S/c1-3-18-11(2)14-5-4-12(16)10-15(14)19-13-6-8-17-9-7-13/h4-11,18H,3H2,1-2H3
InChIKeyAPRBGNFYWBONMH-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
1-[4-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 82969621
1-[4-bromo-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82976134
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
1-[4-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]-N-ethylethanamine
CID 82969017
1-[4-bromo-2-(oxetan-3-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969089
1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 82968989
N-[1-(4-bromo-2-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 82970060
1-[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]-N-ethylethanamine
CID 82954533
1-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]-N-ethylethanamine
CID 82970000

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine (CID 82969170) is 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1Sc1ccncc1.
What is the InChIKey of 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine?
The InChIKey is APRBGNFYWBONMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-3-18-11(2)14-5-4-12(16)10-15(14)19-13-6-8-17-9-7-13/h4-11,18H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine?
1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine has a molecular weight of 337.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine is sourced from PubChem (CID 82969170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).