N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine

C15H15ClFNS — CID 63805033

IUPACN-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H15ClFNS/c1-2-18-10-11-3-8-15(14(17)9-11)19-13-6-4-12(16)5-7-13/h3-9,18H,2,10H2,1H3
InChIKeyPEGBEWJBZAKVFI-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.74
Rot. Bonds5

About N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine

N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine (PubChem CID 63805033) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
PubChem CID63805033
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC NameN-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H15ClFNS/c1-2-18-10-11-3-8-15(14(17)9-11)19-13-6-4-12(16)5-7-13/h3-9,18H,2,10H2,1H3
InChIKeyPEGBEWJBZAKVFI-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-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 55240767
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]propan-1-amine
CID 63808159
2-[4-(ethylaminomethyl)-2-fluorophenyl]sulfanylpyrimidine-4,6-diamine
CID 63813912
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 63808238
N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159843
N-[[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239462
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63809916
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160116
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine (CID 63805033) is N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(Sc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine?
The InChIKey is PEGBEWJBZAKVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-2-18-10-11-3-8-15(14(17)9-11)19-13-6-4-12(16)5-7-13/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine?
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]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-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63805033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).