N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine

C14H23NS — CID 107887917

IUPACN-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine
SMILESCCCC(C)Sc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H23NS/c1-5-6-11(2)16-14-9-7-13(8-10-14)12(3)15-4/h7-12,15H,5-6H2,1-4H3
InChIKeyJDLOMGSMJJIVNK-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.25
Rot. Bonds6

About N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine

N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine (PubChem CID 107887917) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine
PubChem CID107887917
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine
SMILESCCCC(C)Sc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H23NS/c1-5-6-11(2)16-14-9-7-13(8-10-14)12(3)15-4/h7-12,15H,5-6H2,1-4H3
InChIKeyJDLOMGSMJJIVNK-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine (CID 107887917) is N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine is CCCC(C)Sc1ccc(C(C)NC)cc1.
What is the InChIKey of N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine?
The InChIKey is JDLOMGSMJJIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-6-11(2)16-14-9-7-13(8-10-14)12(3)15-4/h7-12,15H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine?
N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine has a molecular weight of 237.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 107887917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).