N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine

C15H16BrF2NS — CID 79724075

IUPACN-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
SMILESCc1cc(C(NC(C)C)c2sccc2Br)c(F)cc1F
InChIInChI=1S/C15H16BrF2NS/c1-8(2)19-14(15-11(16)4-5-20-15)10-6-9(3)12(17)7-13(10)18/h4-8,14,19H,1-3H3
InChIKeyBYBOGDAYCUWSLK-UHFFFAOYSA-N
MW360.27 g/mol
LogP5.18
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine

N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine (PubChem CID 79724075) has the molecular formula C15H16BrF2NS and a molecular weight of 360.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
PubChem CID79724075
Molecular FormulaC15H16BrF2NS
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC NameN-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
SMILESCc1cc(C(NC(C)C)c2sccc2Br)c(F)cc1F
InChIInChI=1S/C15H16BrF2NS/c1-8(2)19-14(15-11(16)4-5-20-15)10-6-9(3)12(17)7-13(10)18/h4-8,14,19H,1-3H3
InChIKeyBYBOGDAYCUWSLK-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.27
LogP ≤ 55.18
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
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
N-[(5-bromo-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
CID 79976705
N-[(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 80535170
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
1-(2,4-difluoro-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79724270
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105399003
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
N-[(3-bromothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81277844
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine (CID 79724075) is N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine is Cc1cc(C(NC(C)C)c2sccc2Br)c(F)cc1F.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine?
The InChIKey is BYBOGDAYCUWSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NS/c1-8(2)19-14(15-11(16)4-5-20-15)10-6-9(3)12(17)7-13(10)18/h4-8,14,19H,1-3H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine?
N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine has a molecular weight of 360.27 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 79724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).