N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine

C15H22FNS — CID 114066380

IUPACN-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)C(C)Sc1cccc(F)c1CNC1CC1
InChIInChI=1S/C15H22FNS/c1-10(2)11(3)18-15-6-4-5-14(16)13(15)9-17-12-7-8-12/h4-6,10-12,17H,7-9H2,1-3H3
InChIKeyRGXCGAIZBVUUCZ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.21
Rot. Bonds6

About N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 114066380) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID114066380
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)C(C)Sc1cccc(F)c1CNC1CC1
InChIInChI=1S/C15H22FNS/c1-10(2)11(3)18-15-6-4-5-14(16)13(15)9-17-12-7-8-12/h4-6,10-12,17H,7-9H2,1-3H3
InChIKeyRGXCGAIZBVUUCZ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine (CID 114066380) is N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine is CC(C)C(C)Sc1cccc(F)c1CNC1CC1.
What is the InChIKey of N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is RGXCGAIZBVUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-10(2)11(3)18-15-6-4-5-14(16)13(15)9-17-12-7-8-12/h4-6,10-12,17H,7-9H2,1-3H3.
What are the key properties of N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine has a molecular weight of 267.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114066380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).