2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine

C14H15BrFNS — CID 115818464

IUPAC2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-2-10-5-6-18-14(10)13(17)8-9-3-4-12(16)11(15)7-9/h3-7,13H,2,8,17H2,1H3
InChIKeyRJDKOVAHBSFONX-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.45
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 115818464) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID115818464
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-2-10-5-6-18-14(10)13(17)8-9-3-4-12(16)11(15)7-9/h3-7,13H,2,8,17H2,1H3
InChIKeyRJDKOVAHBSFONX-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 79975339
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
(3-bromo-2,6-difluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106944602
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
CID 115818971
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105290517
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 115818464) is 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is RJDKOVAHBSFONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-10-5-6-18-14(10)13(17)8-9-3-4-12(16)11(15)7-9/h3-7,13H,2,8,17H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115818464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).