N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine

C17H21NS — CID 827372

IUPACN-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H21NS/c1-3-18(4-2)14-15-10-8-9-13-17(15)19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3
InChIKeyLWRSLWDTFYXZRF-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.68
Rot. Bonds6

About N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine

N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine (PubChem CID 827372) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
PubChem CID827372
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H21NS/c1-3-18(4-2)14-15-10-8-9-13-17(15)19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3
InChIKeyLWRSLWDTFYXZRF-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine (CID 827372) is N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine is CCN(CC)Cc1ccccc1Sc1ccccc1.
What is the InChIKey of N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The InChIKey is LWRSLWDTFYXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-18(4-2)14-15-10-8-9-13-17(15)19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 827372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).