N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine

C16H19NS — CID 46233485

IUPACN,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine
SMILESCN(C)CCSc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-17(2)11-12-18-16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyNDJKJLMJAGRKRK-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.01
Rot. Bonds5

About N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine

N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine (PubChem CID 46233485) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine
PubChem CID46233485
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine
SMILESCN(C)CCSc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-17(2)11-12-18-16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyNDJKJLMJAGRKRK-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine (CID 46233485) is N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine is CN(C)CCSc1cccc(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine?
The InChIKey is NDJKJLMJAGRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-17(2)11-12-18-16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine?
N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine has a molecular weight of 257.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-phenylphenyl)sulfanylethanamine is sourced from PubChem (CID 46233485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).