N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine

C15H20FNS — CID 60713973

IUPACN-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESFc1ccc(SCCNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C15H20FNS/c16-13-5-7-14(8-6-13)18-10-9-17-15(11-1-2-11)12-3-4-12/h5-8,11-12,15,17H,1-4,9-10H2
InChIKeyAISMAJQSUPNKRT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.70
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine

N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 60713973) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID60713973
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC NameN-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESFc1ccc(SCCNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C15H20FNS/c16-13-5-7-14(8-6-13)18-10-9-17-15(11-1-2-11)12-3-4-12/h5-8,11-12,15,17H,1-4,9-10H2
InChIKeyAISMAJQSUPNKRT-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine (CID 60713973) is N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine is Fc1ccc(SCCNC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is AISMAJQSUPNKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c16-13-5-7-14(8-6-13)18-10-9-17-15(11-1-2-11)12-3-4-12/h5-8,11-12,15,17H,1-4,9-10H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine?
N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 60713973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).