N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine

C12H19NS — CID 58202178

IUPACN-methyl-N-(2-phenylsulfanylethyl)propan-2-amine
SMILESCC(C)N(C)CCSc1ccccc1
InChIInChI=1S/C12H19NS/c1-11(2)13(3)9-10-14-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyUUUMIHPPDFETSH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine

N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine (PubChem CID 58202178) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylsulfanylethyl)propan-2-amine
PubChem CID58202178
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-N-(2-phenylsulfanylethyl)propan-2-amine
SMILESCC(C)N(C)CCSc1ccccc1
InChIInChI=1S/C12H19NS/c1-11(2)13(3)9-10-14-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyUUUMIHPPDFETSH-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine?
The IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine (CID 58202178) is N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine.
What is the SMILES notation for N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine?
The canonical SMILES for N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine is CC(C)N(C)CCSc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine?
The InChIKey is UUUMIHPPDFETSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-11(2)13(3)9-10-14-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine?
N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 58202178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).