N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine

C17H20FNOS — CID 103887823

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine
SMILESCC1CC(NCc2ccc(F)c(-c3cccs3)c2)CCO1
InChIInChI=1S/C17H20FNOS/c1-12-9-14(6-7-20-12)19-11-13-4-5-16(18)15(10-13)17-3-2-8-21-17/h2-5,8,10,12,14,19H,6-7,9,11H2,1H3
InChIKeyAQPLTXOHROWINH-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.21
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine (PubChem CID 103887823) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine
PubChem CID103887823
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine
SMILESCC1CC(NCc2ccc(F)c(-c3cccs3)c2)CCO1
InChIInChI=1S/C17H20FNOS/c1-12-9-14(6-7-20-12)19-11-13-4-5-16(18)15(10-13)17-3-2-8-21-17/h2-5,8,10,12,14,19H,6-7,9,11H2,1H3
InChIKeyAQPLTXOHROWINH-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-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-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine (CID 103887823) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine is CC1CC(NCc2ccc(F)c(-c3cccs3)c2)CCO1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine?
The InChIKey is AQPLTXOHROWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12-9-14(6-7-20-12)19-11-13-4-5-16(18)15(10-13)17-3-2-8-21-17/h2-5,8,10,12,14,19H,6-7,9,11H2,1H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine has a molecular weight of 305.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103887823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).