1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

C19H25NS — CID 115482274

IUPAC1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCCc1ccc(C(NC)c2ccc(SC)cc2)cc1CC
InChIInChI=1S/C19H25NS/c1-5-14-7-8-17(13-15(14)6-2)19(20-3)16-9-11-18(21-4)12-10-16/h7-13,19-20H,5-6H2,1-4H3
InChIKeyURSIFPMPNWDJCZ-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.84
Rot. Bonds6

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

1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 115482274) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID115482274
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCCc1ccc(C(NC)c2ccc(SC)cc2)cc1CC
InChIInChI=1S/C19H25NS/c1-5-14-7-8-17(13-15(14)6-2)19(20-3)16-9-11-18(21-4)12-10-16/h7-13,19-20H,5-6H2,1-4H3
InChIKeyURSIFPMPNWDJCZ-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482181
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 115482248
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991576
1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156
2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
CID 143541778

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 115482274) is 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is CCc1ccc(C(NC)c2ccc(SC)cc2)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is URSIFPMPNWDJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-5-14-7-8-17(13-15(14)6-2)19(20-3)16-9-11-18(21-4)12-10-16/h7-13,19-20H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 299.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115482274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).