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

C15H15ClFNS — CID 114864036

IUPACN-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Sc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNS/c1-2-18-10-11-3-4-12(16)9-15(11)19-14-7-5-13(17)6-8-14/h3-9,18H,2,10H2,1H3
InChIKeyULFNQCVRERHVGX-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.74
Rot. Bonds5

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

N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 114864036) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID114864036
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC NameN-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Sc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNS/c1-2-18-10-11-3-4-12(16)9-15(11)19-14-7-5-13(17)6-8-14/h3-9,18H,2,10H2,1H3
InChIKeyULFNQCVRERHVGX-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-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 114864251
[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 55180213
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 55240767
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 106533997
N-[[4-bromo-2-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63805089
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine (CID 114864036) is N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1Sc1ccc(F)cc1.
What is the InChIKey of N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is ULFNQCVRERHVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-2-18-10-11-3-4-12(16)9-15(11)19-14-7-5-13(17)6-8-14/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
N-[[4-chloro-2-(4-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-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 114864036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).