1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine

C13H14BrNS — CID 65307292

IUPAC1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(Br)cc1C(N)Cc1ccsc1
InChIInChI=1S/C13H14BrNS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13H,6,15H2,1H3
InChIKeyQRZRKJNTSMPUEC-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine

1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine (PubChem CID 65307292) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
PubChem CID65307292
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(Br)cc1C(N)Cc1ccsc1
InChIInChI=1S/C13H14BrNS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13H,6,15H2,1H3
InChIKeyQRZRKJNTSMPUEC-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine (CID 65307292) is 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine is Cc1ccc(Br)cc1C(N)Cc1ccsc1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine?
The InChIKey is QRZRKJNTSMPUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-2-3-11(14)7-12(9)13(15)6-10-4-5-16-8-10/h2-5,7-8,13H,6,15H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine?
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 65307292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).