2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine

C15H19NS — CID 64614644

IUPAC2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
SMILESCCSCC(NC)c1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-3-17-11-15(16-2)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15-16H,3,11H2,1-2H3
InChIKeyQYLVQCIOFLEFMX-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.85
Rot. Bonds5

About 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine

2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 64614644) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID64614644
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
SMILESCCSCC(NC)c1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-3-17-11-15(16-2)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15-16H,3,11H2,1-2H3
InChIKeyQYLVQCIOFLEFMX-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-(methylamino)-2-naphthalen-1-ylethyl]sulfanylpropan-1-ol
CID 66102804
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
3-ethyl-N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 82923409
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
CID 107784351
3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
CID 112688299
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine (CID 64614644) is 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine is CCSCC(NC)c1cccc2ccccc12.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is QYLVQCIOFLEFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-3-17-11-15(16-2)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15-16H,3,11H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine?
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64614644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).