1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine

C15H23NO2S — CID 107748324

IUPAC1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
SMILESCOc1ccccc1C(SC1CCOC1C)C(C)N
InChIInChI=1S/C15H23NO2S/c1-10(16)15(19-14-8-9-18-11(14)2)12-6-4-5-7-13(12)17-3/h4-7,10-11,14-15H,8-9,16H2,1-3H3
InChIKeySZLWBFPCXWZMDQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine

1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine (PubChem CID 107748324) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
PubChem CID107748324
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
SMILESCOc1ccccc1C(SC1CCOC1C)C(C)N
InChIInChI=1S/C15H23NO2S/c1-10(16)15(19-14-8-9-18-11(14)2)12-6-4-5-7-13(12)17-3/h4-7,10-11,14-15H,8-9,16H2,1-3H3
InChIKeySZLWBFPCXWZMDQ-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750521
1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine
CID 107748724
1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 55021945
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine
CID 107762814
1-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 107748221
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(3R)-3-[(1S)-1-(2-methoxyphenyl)ethyl]sulfanyloxolan-2-one
CID 96527633
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325944

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine (CID 107748324) is 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine is COc1ccccc1C(SC1CCOC1C)C(C)N.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine?
The InChIKey is SZLWBFPCXWZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10(16)15(19-14-8-9-18-11(14)2)12-6-4-5-7-13(12)17-3/h4-7,10-11,14-15H,8-9,16H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine?
1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 107748324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).