N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine

C15H22FNS — CID 79941806

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)CS1
InChIInChI=1S/C15H22FNS/c1-10(2)15(12-4-6-13(16)7-5-12)17-14-8-11(3)18-9-14/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyIMGFTSADUWFNAJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.01
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine

N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine (PubChem CID 79941806) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
PubChem CID79941806
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)CS1
InChIInChI=1S/C15H22FNS/c1-10(2)15(12-4-6-13(16)7-5-12)17-14-8-11(3)18-9-14/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyIMGFTSADUWFNAJ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine (CID 79941806) is N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine is CC1CC(NC(c2ccc(F)cc2)C(C)C)CS1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
The InChIKey is IMGFTSADUWFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-10(2)15(12-4-6-13(16)7-5-12)17-14-8-11(3)18-9-14/h4-7,10-11,14-15,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine has a molecular weight of 267.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79941806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).