N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine

C14H23NOS — CID 79627608

IUPACN-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1SC
InChIInChI=1S/C14H23NOS/c1-5-15-10-14(2,3)11-16-12-8-6-7-9-13(12)17-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeySOXRZEATVCBVSN-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.42
Rot. Bonds7

About N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine

N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine (PubChem CID 79627608) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
PubChem CID79627608
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1SC
InChIInChI=1S/C14H23NOS/c1-5-15-10-14(2,3)11-16-12-8-6-7-9-13(12)17-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeySOXRZEATVCBVSN-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine (CID 79627608) is N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine is CCNCC(C)(C)COc1ccccc1SC.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine?
The InChIKey is SOXRZEATVCBVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-15-10-14(2,3)11-16-12-8-6-7-9-13(12)17-4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine is sourced from PubChem (CID 79627608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).