(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

C12H10BrF2NS — CID 79724955

IUPAC(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2sccc2Br)c(F)cc1F
InChIInChI=1S/C12H10BrF2NS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11H,16H2,1H3
InChIKeyUAFAPRMKAJCOBO-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.15
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 79724955) has the molecular formula C12H10BrF2NS and a molecular weight of 318.19 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID79724955
Molecular FormulaC12H10BrF2NS
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2sccc2Br)c(F)cc1F
InChIInChI=1S/C12H10BrF2NS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11H,16H2,1H3
InChIKeyUAFAPRMKAJCOBO-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
CID 79724075
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 79724955) is (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2sccc2Br)c(F)cc1F.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is UAFAPRMKAJCOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11H,16H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 318.19 g/mol, XLogP of 4.15, 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-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 79724955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).