N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine

C19H22FNOS — CID 29209354

IUPACN-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNC[C@@]2(c3cccc(F)c3)CCOC2)cc1
InChIInChI=1S/C19H22FNOS/c1-23-18-7-5-15(6-8-18)12-21-13-19(9-10-22-14-19)16-3-2-4-17(20)11-16/h2-8,11,21H,9-10,12-14H2,1H3/t19-/m0/s1
InChIKeyGTQTZFAFQKGDCM-IBGZPJMESA-N
MW331.46 g/mol
LogP4.00
Rot. Bonds6

About N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine

N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 29209354) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID29209354
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNC[C@@]2(c3cccc(F)c3)CCOC2)cc1
InChIInChI=1S/C19H22FNOS/c1-23-18-7-5-15(6-8-18)12-21-13-19(9-10-22-14-19)16-3-2-4-17(20)11-16/h2-8,11,21H,9-10,12-14H2,1H3/t19-/m0/s1
InChIKeyGTQTZFAFQKGDCM-IBGZPJMESA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine 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-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine (CID 29209354) is N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine is CSc1ccc(CNC[C@@]2(c3cccc(F)c3)CCOC2)cc1.
What is the InChIKey of N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is GTQTZFAFQKGDCM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNOS/c1-23-18-7-5-15(6-8-18)12-21-13-19(9-10-22-14-19)16-3-2-4-17(20)11-16/h2-8,11,21H,9-10,12-14H2,1H3/t19-/m0/s1.
What are the key properties of N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 331.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 29209354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).