1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine

C14H14ClNS — CID 63808082

IUPAC1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNS/c1-16-10-11-5-2-3-8-14(11)17-13-7-4-6-12(15)9-13/h2-9,16H,10H2,1H3
InChIKeyOZZOWDGNDAFHOS-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.21
Rot. Bonds4

About 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine

1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 63808082) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID63808082
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNS/c1-16-10-11-5-2-3-8-14(11)17-13-7-4-6-12(15)9-13/h2-9,16H,10H2,1H3
InChIKeyOZZOWDGNDAFHOS-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
2-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-6-(hydroxymethyl)phenol
CID 69008982
2-(3-chlorophenyl)sulfanylbenzenethiol
CID 57165343
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807908
1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63808260
3-[[2-(2-chlorophenyl)sulfanylphenyl]methylamino]-2-hydroxybenzoic acid;3-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-2-hydroxybenzoic acid
CID 160727249
1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114064942
N-[[3-chloro-4-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159251
1-[4-chloro-2-[(2-methylphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114864628
2-[[2-(2-chlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol;2-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol;2-[[2-(3,4-dichlorophenyl)sulfanylphenyl]methylamino]-6-fluorophenol
CID 161445343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine (CID 63808082) is 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine is CNCc1ccccc1Sc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is OZZOWDGNDAFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-16-10-11-5-2-3-8-14(11)17-13-7-4-6-12(15)9-13/h2-9,16H,10H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine?
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 263.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63808082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).