N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine

C16H16FNS — CID 63806637

IUPACN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESFc1ccccc1Sc1ccccc1CNC1CC1
InChIInChI=1S/C16H16FNS/c17-14-6-2-4-8-16(14)19-15-7-3-1-5-12(15)11-18-13-9-10-13/h1-8,13,18H,9-11H2
InChIKeyBZHIGGVEFQZXPI-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.23
Rot. Bonds5

About N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine

N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 63806637) has the molecular formula C16H16FNS and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID63806637
Molecular FormulaC16H16FNS
Molecular Weight273.38 g/mol
Exact Mass273.10
IUPAC NameN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESFc1ccccc1Sc1ccccc1CNC1CC1
InChIInChI=1S/C16H16FNS/c17-14-6-2-4-8-16(14)19-15-7-3-1-5-12(15)11-18-13-9-10-13/h1-8,13,18H,9-11H2
InChIKeyBZHIGGVEFQZXPI-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine
CID 6947792
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138
N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807475
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine (CID 63806637) is N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine is Fc1ccccc1Sc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is BZHIGGVEFQZXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNS/c17-14-6-2-4-8-16(14)19-15-7-3-1-5-12(15)11-18-13-9-10-13/h1-8,13,18H,9-11H2.
What are the key properties of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 273.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63806637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).