N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine

C17H18F2N2OS — CID 42522770

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
SMILESFc1ccc(Oc2ncccc2CNC2CCSCC2)cc1F
InChIInChI=1S/C17H18F2N2OS/c18-15-4-3-14(10-16(15)19)22-17-12(2-1-7-20-17)11-21-13-5-8-23-9-6-13/h1-4,7,10,13,21H,5-6,8-9,11H2
InChIKeyJXGIQFGRMDUHNN-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.14
Rot. Bonds5

About N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine (PubChem CID 42522770) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
PubChem CID42522770
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
SMILESFc1ccc(Oc2ncccc2CNC2CCSCC2)cc1F
InChIInChI=1S/C17H18F2N2OS/c18-15-4-3-14(10-16(15)19)22-17-12(2-1-7-20-17)11-21-13-5-8-23-9-6-13/h1-4,7,10,13,21H,5-6,8-9,11H2
InChIKeyJXGIQFGRMDUHNN-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
(3R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95193256
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 63984255
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 56739429
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine (CID 42522770) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine is Fc1ccc(Oc2ncccc2CNC2CCSCC2)cc1F.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine?
The InChIKey is JXGIQFGRMDUHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c18-15-4-3-14(10-16(15)19)22-17-12(2-1-7-20-17)11-21-13-5-8-23-9-6-13/h1-4,7,10,13,21H,5-6,8-9,11H2.
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine has a molecular weight of 336.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine is sourced from PubChem (CID 42522770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).