N-[2-(difluoromethoxy)phenyl]thian-4-amine

C12H15F2NOS — CID 43511331

IUPACN-[2-(difluoromethoxy)phenyl]thian-4-amine
SMILESFC(F)Oc1ccccc1NC1CCSCC1
InChIInChI=1S/C12H15F2NOS/c13-12(14)16-11-4-2-1-3-10(11)15-9-5-7-17-8-6-9/h1-4,9,12,15H,5-8H2
InChIKeySDRQIUXOPFVOCT-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]thian-4-amine

N-[2-(difluoromethoxy)phenyl]thian-4-amine (PubChem CID 43511331) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]thian-4-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]thian-4-amine
PubChem CID43511331
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN-[2-(difluoromethoxy)phenyl]thian-4-amine
SMILESFC(F)Oc1ccccc1NC1CCSCC1
InChIInChI=1S/C12H15F2NOS/c13-12(14)16-11-4-2-1-3-10(11)15-9-5-7-17-8-6-9/h1-4,9,12,15H,5-8H2
InChIKeySDRQIUXOPFVOCT-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
CID 79941506
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
CID 62977442
N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81465818
N-[2-(trifluoromethyl)phenyl]thian-4-amine
CID 43511244
1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile
CID 62743756
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
CID 146573025

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]thian-4-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]thian-4-amine (CID 43511331) is N-[2-(difluoromethoxy)phenyl]thian-4-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]thian-4-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]thian-4-amine is FC(F)Oc1ccccc1NC1CCSCC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]thian-4-amine?
The InChIKey is SDRQIUXOPFVOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c13-12(14)16-11-4-2-1-3-10(11)15-9-5-7-17-8-6-9/h1-4,9,12,15H,5-8H2.
What are the key properties of N-[2-(difluoromethoxy)phenyl]thian-4-amine?
N-[2-(difluoromethoxy)phenyl]thian-4-amine has a molecular weight of 259.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]thian-4-amine is sourced from PubChem (CID 43511331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).