(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine

C11H8BrF2NS — CID 63798437

IUPAC(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1sccc1Br
InChIInChI=1S/C11H8BrF2NS/c12-8-3-4-16-11(8)10(15)7-2-1-6(13)5-9(7)14/h1-5,10H,15H2
InChIKeyCGJACIAZOWIGMS-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.84
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine

(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine (PubChem CID 63798437) has the molecular formula C11H8BrF2NS and a molecular weight of 304.16 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
PubChem CID63798437
Molecular FormulaC11H8BrF2NS
Molecular Weight304.16 g/mol
Exact Mass302.95
IUPAC Name(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1sccc1Br
InChIInChI=1S/C11H8BrF2NS/c12-8-3-4-16-11(8)10(15)7-2-1-6(13)5-9(7)14/h1-5,10H,15H2
InChIKeyCGJACIAZOWIGMS-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(2-bromo-4-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 80535969
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
CID 106942443
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
(3-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 80535218
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43464215
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine (CID 63798437) is (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine is NC(c1ccc(F)cc1F)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine?
The InChIKey is CGJACIAZOWIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NS/c12-8-3-4-16-11(8)10(15)7-2-1-6(13)5-9(7)14/h1-5,10H,15H2.
What are the key properties of (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine?
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine has a molecular weight of 304.16 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 63798437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).