N-methyl-1-phenyl-2-propylsulfanylethanamine

C12H19NS — CID 64613859

IUPACN-methyl-1-phenyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccccc1
InChIInChI=1S/C12H19NS/c1-3-9-14-10-12(13-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyLLLAHKGNIKGGIW-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.09
Rot. Bonds6

About N-methyl-1-phenyl-2-propylsulfanylethanamine

N-methyl-1-phenyl-2-propylsulfanylethanamine (PubChem CID 64613859) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-propylsulfanylethanamine
PubChem CID64613859
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-1-phenyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccccc1
InChIInChI=1S/C12H19NS/c1-3-9-14-10-12(13-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyLLLAHKGNIKGGIW-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-pentylsulfanyl-1-phenylethanamine
CID 107762924
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
1-(furan-3-yl)-N-methyl-2-propylsulfanylethanamine
CID 65128503
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
1-(2,6-difluorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129194
1-(1,3-benzodioxol-5-yl)-N-methyl-2-propylsulfanylethanamine
CID 64615340
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
CID 114234945
2-phenyl-3-propylsulfanylpropan-1-amine
CID 64535835
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-propylsulfanylethanamine?
The IUPAC name of N-methyl-1-phenyl-2-propylsulfanylethanamine (CID 64613859) is N-methyl-1-phenyl-2-propylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-phenyl-2-propylsulfanylethanamine?
The canonical SMILES for N-methyl-1-phenyl-2-propylsulfanylethanamine is CCCSCC(NC)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-2-propylsulfanylethanamine?
The InChIKey is LLLAHKGNIKGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-9-14-10-12(13-2)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3.
What are the key properties of N-methyl-1-phenyl-2-propylsulfanylethanamine?
N-methyl-1-phenyl-2-propylsulfanylethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-propylsulfanylethanamine is sourced from PubChem (CID 64613859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).