(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine

C15H15ClFNS — CID 103288661

IUPAC(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1SCc1ccccc1Cl
InChIInChI=1S/C15H15ClFNS/c1-10(18)13-8-12(17)6-7-15(13)19-9-11-4-2-3-5-14(11)16/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyNLFNDHPQJZEWHZ-SNVBAGLBSA-N
MW295.81 g/mol
LogP4.79
Rot. Bonds4

About (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine

(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine (PubChem CID 103288661) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
PubChem CID103288661
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1SCc1ccccc1Cl
InChIInChI=1S/C15H15ClFNS/c1-10(18)13-8-12(17)6-7-15(13)19-9-11-4-2-3-5-14(11)16/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyNLFNDHPQJZEWHZ-SNVBAGLBSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 63371638
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 79026833
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
1-[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 64661930
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanylpropane-1,2-diol
CID 79682177

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine (CID 103288661) is (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1SCc1ccccc1Cl.
What is the InChIKey of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
The InChIKey is NLFNDHPQJZEWHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-10(18)13-8-12(17)6-7-15(13)19-9-11-4-2-3-5-14(11)16/h2-8,10H,9,18H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 103288661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).