(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine

C14H12ClF2NS — CID 55184274

IUPAC(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NS/c1-8(18)9-2-4-13(11(15)6-9)19-14-5-3-10(16)7-12(14)17/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyGHMATOOWCLQIGE-MRVPVSSYSA-N
MW299.77 g/mol
LogP4.79
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine

(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine (PubChem CID 55184274) has the molecular formula C14H12ClF2NS and a molecular weight of 299.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
PubChem CID55184274
Molecular FormulaC14H12ClF2NS
Molecular Weight299.77 g/mol
Exact Mass299.03
IUPAC Name(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NS/c1-8(18)9-2-4-13(11(15)6-9)19-14-5-3-10(16)7-12(14)17/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyGHMATOOWCLQIGE-MRVPVSSYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1S)-1-[3-chloro-4-(2,5-dichlorophenyl)sulfanylphenyl]ethanamine
CID 78944427
1-[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63532150
(1S)-1-[3-chloro-4-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 78944443
(1S)-1-[3-chloro-4-(2,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 78944451
(1R)-1-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]ethanamine
CID 63532454
1-[3-chloro-4-(2,5-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 63533351
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
1-(3-chloro-4-pyrimidin-2-ylsulfanylphenyl)ethanamine
CID 55130165
(1S)-1-[4-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluorophenyl]ethanamine
CID 78992850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine (CID 55184274) is (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine is C[C@@H](N)c1ccc(Sc2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is GHMATOOWCLQIGE-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClF2NS/c1-8(18)9-2-4-13(11(15)6-9)19-14-5-3-10(16)7-12(14)17/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine?
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine has a molecular weight of 299.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 55184274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).