N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine

C15H15Cl2NS — CID 55240767

IUPACN-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2NS/c1-2-18-10-11-3-6-13(7-4-11)19-15-9-12(16)5-8-14(15)17/h3-9,18H,2,10H2,1H3
InChIKeyNIOAWXNQFHWQEI-UHFFFAOYSA-N
MW312.27 g/mol
LogP5.25
Rot. Bonds5

About N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine

N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 55240767) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID55240767
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC NameN-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2NS/c1-2-18-10-11-3-6-13(7-4-11)19-15-9-12(16)5-8-14(15)17/h3-9,18H,2,10H2,1H3
InChIKeyNIOAWXNQFHWQEI-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63806117
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160116
N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 114864036
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159251
N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80640608
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783272
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805959
N-[[4-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 114864251
3-(2,5-dichlorophenyl)sulfanyl-N-ethylpropan-1-amine
CID 61386021

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine (CID 55240767) is N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccc(Sc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is NIOAWXNQFHWQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c1-2-18-10-11-3-6-13(7-4-11)19-15-9-12(16)5-8-14(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine?
N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 312.27 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dichlorophenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 55240767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).