N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine

C16H14FNS2 — CID 43773033

IUPACN-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESFc1cccc(CNC(c2cccs2)c2cccs2)c1
InChIInChI=1S/C16H14FNS2/c17-13-5-1-4-12(10-13)11-18-16(14-6-2-8-19-14)15-7-3-9-20-15/h1-10,16,18H,11H2
InChIKeyQDUPSYDWYLRQFL-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.83
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine

N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine (PubChem CID 43773033) has the molecular formula C16H14FNS2 and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
PubChem CID43773033
Molecular FormulaC16H14FNS2
Molecular Weight303.43 g/mol
Exact Mass303.06
IUPAC NameN-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESFc1cccc(CNC(c2cccs2)c2cccs2)c1
InChIInChI=1S/C16H14FNS2/c17-13-5-1-4-12(10-13)11-18-16(14-6-2-8-19-14)15-7-3-9-20-15/h1-10,16,18H,11H2
InChIKeyQDUPSYDWYLRQFL-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
(1S)-N-(dithiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81353521
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine (CID 43773033) is N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine is Fc1cccc(CNC(c2cccs2)c2cccs2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine?
The InChIKey is QDUPSYDWYLRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS2/c17-13-5-1-4-12(10-13)11-18-16(14-6-2-8-19-14)15-7-3-9-20-15/h1-10,16,18H,11H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine?
N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine has a molecular weight of 303.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine is sourced from PubChem (CID 43773033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).