N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine

C16H14F3NS — CID 63807461

IUPACN-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(Sc2ccc(F)cc2CNC2CC2)c(F)c1
InChIInChI=1S/C16H14F3NS/c17-11-1-5-15(10(7-11)9-20-13-3-4-13)21-16-6-2-12(18)8-14(16)19/h1-2,5-8,13,20H,3-4,9H2
InChIKeyFLVGQHZJLWPYEF-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.51
Rot. Bonds5

About N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 63807461) has the molecular formula C16H14F3NS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID63807461
Molecular FormulaC16H14F3NS
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(Sc2ccc(F)cc2CNC2CC2)c(F)c1
InChIInChI=1S/C16H14F3NS/c17-11-1-5-15(10(7-11)9-20-13-3-4-13)21-16-6-2-12(18)8-14(16)19/h1-2,5-8,13,20H,3-4,9H2
InChIKeyFLVGQHZJLWPYEF-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159829
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55239640
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240971
3-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]sulfanylpropan-1-ol
CID 66126421
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[5-fluoro-2-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 106496493
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine (CID 63807461) is N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(Sc2ccc(F)cc2CNC2CC2)c(F)c1.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is FLVGQHZJLWPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NS/c17-11-1-5-15(10(7-11)9-20-13-3-4-13)21-16-6-2-12(18)8-14(16)19/h1-2,5-8,13,20H,3-4,9H2.
What are the key properties of N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 309.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63807461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).