N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine

C15H15ClFNS — CID 81159843

IUPACN-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H15ClFNS/c1-2-18-10-11-7-8-14(12(16)9-11)19-15-6-4-3-5-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyHCMGYGCXWGVQQJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.74
Rot. Bonds5

About N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine

N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 81159843) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID81159843
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC NameN-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H15ClFNS/c1-2-18-10-11-7-8-14(12(16)9-11)19-15-6-4-3-5-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyHCMGYGCXWGVQQJ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(2-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160174
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159251
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160116
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63806325
N-[[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239462
3-[2-chloro-4-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 81160613
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine (CID 81159843) is N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccc(Sc2ccccc2F)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is HCMGYGCXWGVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-2-18-10-11-7-8-14(12(16)9-11)19-15-6-4-3-5-13(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 81159843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).