N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine

C19H23NOS — CID 12924804

IUPACN-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNC1CCc2c(Sc3ccccc3)ccc(OC)c2C1
InChIInChI=1S/C19H23NOS/c1-3-20-14-9-10-16-17(13-14)18(21-2)11-12-19(16)22-15-7-5-4-6-8-15/h4-8,11-12,14,20H,3,9-10,13H2,1-2H3
InChIKeyAFTQNPSJIWZFBF-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.31
Rot. Bonds5

About N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12924804) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12924804
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNC1CCc2c(Sc3ccccc3)ccc(OC)c2C1
InChIInChI=1S/C19H23NOS/c1-3-20-14-9-10-16-17(13-14)18(21-2)11-12-19(16)22-15-7-5-4-6-8-15/h4-8,11-12,14,20H,3,9-10,13H2,1-2H3
InChIKeyAFTQNPSJIWZFBF-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12924804) is N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCNC1CCc2c(Sc3ccccc3)ccc(OC)c2C1.
What is the InChIKey of N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is AFTQNPSJIWZFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-3-20-14-9-10-16-17(13-14)18(21-2)11-12-19(16)22-15-7-5-4-6-8-15/h4-8,11-12,14,20H,3,9-10,13H2,1-2H3.
What are the key properties of N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 313.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-5-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12924804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).