(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine

C13H13BrFNS — CID 43198307

IUPAC(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(Br)cc2F)s1
InChIInChI=1S/C13H13BrFNS/c1-2-9-4-6-12(17-9)13(16)10-5-3-8(14)7-11(10)15/h3-7,13H,2,16H2,1H3
InChIKeyUIJIBHDZESEXRU-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.26
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine

(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 43198307) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID43198307
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(Br)cc2F)s1
InChIInChI=1S/C13H13BrFNS/c1-2-9-4-6-12(17-9)13(16)10-5-3-8(14)7-11(10)15/h3-7,13H,2,16H2,1H3
InChIKeyUIJIBHDZESEXRU-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480749
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene
CID 107333358
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
(4-bromo-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783780
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821
(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 43125136
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
CID 61335935
2-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-5-ethylthiophene
CID 107477597
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine (CID 43198307) is (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2ccc(Br)cc2F)s1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is UIJIBHDZESEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-2-9-4-6-12(17-9)13(16)10-5-3-8(14)7-11(10)15/h3-7,13H,2,16H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine?
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 314.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 43198307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).