1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

C15H15Cl2NS — CID 79215705

IUPAC1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1ccccc1SC
InChIInChI=1S/C15H15Cl2NS/c1-18-15(10-7-8-12(16)13(17)9-10)11-5-3-4-6-14(11)19-2/h3-9,15,18H,1-2H3
InChIKeyGAIIKVJUGLYJEA-UHFFFAOYSA-N
MW312.27 g/mol
LogP5.02
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (PubChem CID 79215705) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
PubChem CID79215705
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1ccccc1SC
InChIInChI=1S/C15H15Cl2NS/c1-18-15(10-7-8-12(16)13(17)9-10)11-5-3-4-6-14(11)19-2/h3-9,15,18H,1-2H3
InChIKeyGAIIKVJUGLYJEA-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214753
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105013685
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 80529098
N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019109
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (CID 79215705) is 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is CNC(c1ccc(Cl)c(Cl)c1)c1ccccc1SC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The InChIKey is GAIIKVJUGLYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c1-18-15(10-7-8-12(16)13(17)9-10)11-5-3-4-6-14(11)19-2/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine has a molecular weight of 312.27 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79215705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).