N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine

C15H22FNS — CID 79862965

IUPACN-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Sc2ccccc2F)CCC1(C)C
InChIInChI=1S/C15H22FNS/c1-4-17-14-13(9-10-15(14,2)3)18-12-8-6-5-7-11(12)16/h5-8,13-14,17H,4,9-10H2,1-3H3
InChIKeyIXKJAGNPQDWHGD-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.08
Rot. Bonds4

About N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine

N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862965) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79862965
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(Sc2ccccc2F)CCC1(C)C
InChIInChI=1S/C15H22FNS/c1-4-17-14-13(9-10-15(14,2)3)18-12-8-6-5-7-11(12)16/h5-8,13-14,17H,4,9-10H2,1-3H3
InChIKeyIXKJAGNPQDWHGD-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine (CID 79862965) is N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(Sc2ccccc2F)CCC1(C)C.
What is the InChIKey of N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is IXKJAGNPQDWHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-4-17-14-13(9-10-15(14,2)3)18-12-8-6-5-7-11(12)16/h5-8,13-14,17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).