1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

C15H16ClNOS — CID 55239641

IUPAC1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Sc1ccccc1OC
InChIInChI=1S/C15H16ClNOS/c1-17-10-11-12(16)6-5-9-14(11)19-15-8-4-3-7-13(15)18-2/h3-9,17H,10H2,1-2H3
InChIKeyNXWWJEMNPKLTTD-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 55239641) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID55239641
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Sc1ccccc1OC
InChIInChI=1S/C15H16ClNOS/c1-17-10-11-12(16)6-5-9-14(11)19-15-8-4-3-7-13(15)18-2/h3-9,17H,10H2,1-2H3
InChIKeyNXWWJEMNPKLTTD-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809424
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 63809725
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
CID 114070340
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
1-(2-butylsulfanyl-6-chlorophenyl)-N-methylmethanamine
CID 63809779
1-[2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 113431904
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine (CID 55239641) is 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1Sc1ccccc1OC.
What is the InChIKey of 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is NXWWJEMNPKLTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-17-10-11-12(16)6-5-9-14(11)19-15-8-4-3-7-13(15)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 293.82 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 55239641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).