(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine

C16H18FNS — CID 63371638

IUPAC(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
SMILESCc1cccc(CSc2ccc(F)cc2[C@@H](C)N)c1
InChIInChI=1S/C16H18FNS/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(17)9-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1
InChIKeyJRZFDYHKIMGVQZ-GFCCVEGCSA-N
MW275.39 g/mol
LogP4.45
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine

(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine (PubChem CID 63371638) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
PubChem CID63371638
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
SMILESCc1cccc(CSc2ccc(F)cc2[C@@H](C)N)c1
InChIInChI=1S/C16H18FNS/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(17)9-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1
InChIKeyJRZFDYHKIMGVQZ-GFCCVEGCSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 103288661
1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 63836206
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
4-[(3-fluorophenyl)methylsulfanyl]-3-methylaniline
CID 43303172
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 79026833
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanylpropane-1,2-diol
CID 79682177
4-chloro-5-fluoro-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 114089214
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine (CID 63371638) is (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine is Cc1cccc(CSc2ccc(F)cc2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine?
The InChIKey is JRZFDYHKIMGVQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(17)9-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine?
(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 63371638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).