N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine

C16H19NS — CID 44568693

IUPACN-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine
SMILESCNCc1ccccc1Cc1ccc(SC)cc1
InChIInChI=1S/C16H19NS/c1-17-12-15-6-4-3-5-14(15)11-13-7-9-16(18-2)10-8-13/h3-10,17H,11-12H2,1-2H3
InChIKeyGVAGNJNCGNKLIE-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.72
Rot. Bonds5

About N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine

N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine (PubChem CID 44568693) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine
PubChem CID44568693
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine
SMILESCNCc1ccccc1Cc1ccc(SC)cc1
InChIInChI=1S/C16H19NS/c1-17-12-15-6-4-3-5-14(15)11-13-7-9-16(18-2)10-8-13/h3-10,17H,11-12H2,1-2H3
InChIKeyGVAGNJNCGNKLIE-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine (CID 44568693) is N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine is CNCc1ccccc1Cc1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
The InChIKey is GVAGNJNCGNKLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-17-12-15-6-4-3-5-14(15)11-13-7-9-16(18-2)10-8-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine?
N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methylsulfanylphenyl)methyl]phenyl]methanamine is sourced from PubChem (CID 44568693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).