N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine

C17H18FNOS — CID 106533983

IUPACN-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCOc1cccc(Sc2cc(F)cc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18FNOS/c1-20-15-3-2-4-16(10-15)21-17-8-12(7-13(18)9-17)11-19-14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyLJDOOIUGEDBHRH-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.24
Rot. Bonds6

About N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 106533983) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID106533983
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCOc1cccc(Sc2cc(F)cc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18FNOS/c1-20-15-3-2-4-16(10-15)21-17-8-12(7-13(18)9-17)11-19-14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyLJDOOIUGEDBHRH-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 106534221
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
CID 106534211
N-[(3-butan-2-ylsulfanyl-5-fluorophenyl)methyl]cyclopropanamine
CID 106533935
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63808973

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine (CID 106533983) is N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine is COc1cccc(Sc2cc(F)cc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is LJDOOIUGEDBHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-20-15-3-2-4-16(10-15)21-17-8-12(7-13(18)9-17)11-19-14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3.
What are the key properties of N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 303.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).