1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine

C15H16ClNOS — CID 81155007

IUPAC1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(SC)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClNOS/c1-17-10-11-3-8-15(14(16)9-11)18-12-4-6-13(19-2)7-5-12/h3-9,17H,10H2,1-2H3
InChIKeyFXXWDOJBOZWVSQ-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.57
Rot. Bonds5

About 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine

1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 81155007) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
PubChem CID81155007
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(SC)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClNOS/c1-17-10-11-3-8-15(14(16)9-11)18-12-4-6-13(19-2)7-5-12/h3-9,17H,10H2,1-2H3
InChIKeyFXXWDOJBOZWVSQ-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419
1-[2-(3,4-dichlorophenoxy)-5-methylsulfanylphenyl]-N-methylmethanamine
CID 10131454
1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
CID 81152018
1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81331494
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-[5-isocyano-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 23378657
1-[5-cyclopropyl-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 90934588
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine (CID 81155007) is 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(SC)cc2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is FXXWDOJBOZWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-17-10-11-3-8-15(14(16)9-11)18-12-4-6-13(19-2)7-5-12/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 293.82 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81155007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).