[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine

C17H18FNS — CID 66096998

IUPAC[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
SMILESNCC1(Sc2ccccc2F)CC(c2ccccc2)C1
InChIInChI=1S/C17H18FNS/c18-15-8-4-5-9-16(15)20-17(12-19)10-14(11-17)13-6-2-1-3-7-13/h1-9,14H,10-12,19H2
InChIKeyZGZGGUOZCQUQTF-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.19
Rot. Bonds4

About [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine

[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine (PubChem CID 66096998) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
PubChem CID66096998
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
SMILESNCC1(Sc2ccccc2F)CC(c2ccccc2)C1
InChIInChI=1S/C17H18FNS/c18-15-8-4-5-9-16(15)20-17(12-19)10-14(11-17)13-6-2-1-3-7-13/h1-9,14H,10-12,19H2
InChIKeyZGZGGUOZCQUQTF-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine (CID 66096998) is [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine is NCC1(Sc2ccccc2F)CC(c2ccccc2)C1.
What is the InChIKey of [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine?
The InChIKey is ZGZGGUOZCQUQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-15-8-4-5-9-16(15)20-17(12-19)10-14(11-17)13-6-2-1-3-7-13/h1-9,14H,10-12,19H2.
What are the key properties of [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine?
[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine is sourced from PubChem (CID 66096998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).