N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine

C17H20FNOS — CID 45240435

IUPACN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cccs1)CC1(c2ccc(F)cc2)CCOC1
InChIInChI=1S/C17H20FNOS/c1-19(11-16-3-2-10-21-16)12-17(8-9-20-13-17)14-4-6-15(18)7-5-14/h2-7,10H,8-9,11-13H2,1H3
InChIKeyLSBHSDZKPNDBSV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.68
Rot. Bonds5

About N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine

N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 45240435) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID45240435
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cccs1)CC1(c2ccc(F)cc2)CCOC1
InChIInChI=1S/C17H20FNOS/c1-19(11-16-3-2-10-21-16)12-17(8-9-20-13-17)14-4-6-15(18)7-5-14/h2-7,10H,8-9,11-13H2,1H3
InChIKeyLSBHSDZKPNDBSV-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine 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-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine (CID 45240435) is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine is CN(Cc1cccs1)CC1(c2ccc(F)cc2)CCOC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is LSBHSDZKPNDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-19(11-16-3-2-10-21-16)12-17(8-9-20-13-17)14-4-6-15(18)7-5-14/h2-7,10H,8-9,11-13H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 305.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 45240435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).