2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

C15H23NO2S — CID 63649409

IUPAC2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCSc1ccccc1OC(C)CNCC1CCCO1
InChIInChI=1S/C15H23NO2S/c1-12(10-16-11-13-6-5-9-17-13)18-14-7-3-4-8-15(14)19-2/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3
InChIKeyVHUWKTIPPCPTEB-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.94
Rot. Bonds7

About 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 63649409) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID63649409
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCSc1ccccc1OC(C)CNCC1CCCO1
InChIInChI=1S/C15H23NO2S/c1-12(10-16-11-13-6-5-9-17-13)18-14-7-3-4-8-15(14)19-2/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3
InChIKeyVHUWKTIPPCPTEB-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 2430853
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111501906
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
1-[2-(2-bromophenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111968367
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111502914
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 63649409) is 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is CSc1ccccc1OC(C)CNCC1CCCO1.
What is the InChIKey of 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is VHUWKTIPPCPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(10-16-11-13-6-5-9-17-13)18-14-7-3-4-8-15(14)19-2/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63649409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).