1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine

C14H15Br2NS — CID 115842771

IUPAC1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(Br)ccc2Br)s1
InChIInChI=1S/C14H15Br2NS/c1-2-10-4-5-11(18-10)8-14(17)12-7-9(15)3-6-13(12)16/h3-7,14H,2,8,17H2,1H3
InChIKeyBJYTZTCRATZHLZ-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.08
Rot. Bonds4

About 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine

1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115842771) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115842771
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(Br)ccc2Br)s1
InChIInChI=1S/C14H15Br2NS/c1-2-10-4-5-11(18-10)8-14(17)12-7-9(15)3-6-13(12)16/h3-7,14H,2,8,17H2,1H3
InChIKeyBJYTZTCRATZHLZ-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65147995
1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842605
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 78937365
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
CID 171235024
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 115847964

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine (CID 115842771) is 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(CC(N)c2cc(Br)ccc2Br)s1.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is BJYTZTCRATZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-2-10-4-5-11(18-10)8-14(17)12-7-9(15)3-6-13(12)16/h3-7,14H,2,8,17H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115842771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).