N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine

C16H18F2N2S — CID 63051748

IUPACN-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(N2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C16H18F2N2S/c1-2-19-9-11-7-13(17)16(14(18)8-11)20-5-3-15-12(10-20)4-6-21-15/h4,6-8,19H,2-3,5,9-10H2,1H3
InChIKeyZUTAGFOGZDPTIU-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.70
Rot. Bonds4

About N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine

N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 63051748) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine
PubChem CID63051748
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(N2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C16H18F2N2S/c1-2-19-9-11-7-13(17)16(14(18)8-11)20-5-3-15-12(10-20)4-6-21-15/h4,6-8,19H,2-3,5,9-10H2,1H3
InChIKeyZUTAGFOGZDPTIU-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80629364
N-[(3,5-difluoro-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 63051774
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63077696
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051592
1-[4-(ethylaminomethyl)-2,6-difluorophenyl]-3-methylpyrrolidin-3-ol
CID 103356930
N-[[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methyl]ethanamine
CID 102768913
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]methanol
CID 106529644
N-[[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63075776
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62439479
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
N-[[3,5-difluoro-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114538745

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine (CID 63051748) is N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(N2CCc3sccc3C2)c(F)c1.
What is the InChIKey of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is ZUTAGFOGZDPTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-2-19-9-11-7-13(17)16(14(18)8-11)20-5-3-15-12(10-20)4-6-21-15/h4,6-8,19H,2-3,5,9-10H2,1H3.
What are the key properties of N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 308.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63051748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).