1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine

C16H25NOS — CID 107762815

IUPAC1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
SMILESCCc1ccc(C(CSC2CCOC2C)NC)cc1
InChIInChI=1S/C16H25NOS/c1-4-13-5-7-14(8-6-13)15(17-3)11-19-16-9-10-18-12(16)2/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyDEPFJTXPRPMKJO-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine

1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine (PubChem CID 107762815) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
PubChem CID107762815
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
SMILESCCc1ccc(C(CSC2CCOC2C)NC)cc1
InChIInChI=1S/C16H25NOS/c1-4-13-5-7-14(8-6-13)15(17-3)11-19-16-9-10-18-12(16)2/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyDEPFJTXPRPMKJO-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine (CID 107762815) is 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine is CCc1ccc(C(CSC2CCOC2C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The InChIKey is DEPFJTXPRPMKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-13-5-7-14(8-6-13)15(17-3)11-19-16-9-10-18-12(16)2/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine is sourced from PubChem (CID 107762815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).