N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

C15H13F2NS — CID 78993268

IUPACN-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESFc1ccc(CNC2CSc3ccccc32)c(F)c1
InChIInChI=1S/C15H13F2NS/c16-11-6-5-10(13(17)7-11)8-18-14-9-19-15-4-2-1-3-12(14)15/h1-7,14,18H,8-9H2
InChIKeyQZIYIJYGCGAHCT-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.90
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 78993268) has the molecular formula C15H13F2NS and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID78993268
Molecular FormulaC15H13F2NS
Molecular Weight277.34 g/mol
Exact Mass277.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESFc1ccc(CNC2CSc3ccccc32)c(F)c1
InChIInChI=1S/C15H13F2NS/c16-11-6-5-10(13(17)7-11)8-18-14-9-19-15-4-2-1-3-12(14)15/h1-7,14,18H,8-9H2
InChIKeyQZIYIJYGCGAHCT-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 79220853
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 105085086
N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301919
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993378
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81327649
N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107644128
N-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115732522
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 78993343
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 78993268) is N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is Fc1ccc(CNC2CSc3ccccc32)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is QZIYIJYGCGAHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS/c16-11-6-5-10(13(17)7-11)8-18-14-9-19-15-4-2-1-3-12(14)15/h1-7,14,18H,8-9H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 277.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 78993268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).