(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine

C13H13BrFNS — CID 43119763

IUPAC(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Br)c(C)s1
InChIInChI=1S/C13H13BrFNS/c1-7-5-10(8(2)17-7)13(16)11-6-9(15)3-4-12(11)14/h3-6,13H,16H2,1-2H3
InChIKeyPGTUXLHEGWZOFA-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.31
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine

(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine (PubChem CID 43119763) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
PubChem CID43119763
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Br)c(C)s1
InChIInChI=1S/C13H13BrFNS/c1-7-5-10(8(2)17-7)13(16)11-6-9(15)3-4-12(11)14/h3-6,13H,16H2,1-2H3
InChIKeyPGTUXLHEGWZOFA-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
2-(4-Bromophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062009
2-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062014
2-Thenylamine, alpha-(p-fluorobenzyl)-, hydrochloride
CID 3062018
(4-Fluorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 132327483
1-(5-Bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 103048689
2-(4-Fluorophenyl)-1-thiophen-2-ylethanamine
CID 3062019
2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11290806
[5-[(2-Fluorophenyl)methyl]thiophen-2-yl]methanamine
CID 23130451
C-(5-(4-Fluorobenzyl)thiophen-2-yl)methylamine
CID 23130476
[5-[(3-Fluorophenyl)methyl]thiophen-2-yl]methanamine
CID 23130747
1-(5-(4-Fluorophenyl)thiophen-2-yl)ethan-1-amine
CID 43154295

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine (CID 43119763) is (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine is Cc1cc(C(N)c2cc(F)ccc2Br)c(C)s1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
The InChIKey is PGTUXLHEGWZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-7-5-10(8(2)17-7)13(16)11-6-9(15)3-4-12(11)14/h3-6,13H,16H2,1-2H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine?
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine has a molecular weight of 314.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine is sourced from PubChem (CID 43119763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).