1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

C16H27NOS — CID 65131449

IUPAC1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NOS/c1-5-10-17-15(12-19-13(2)3)11-14-8-6-7-9-16(14)18-4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyAWRVCPDSGCQCGR-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.75
Rot. Bonds9

About 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 65131449) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID65131449
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NOS/c1-5-10-17-15(12-19-13(2)3)11-14-8-6-7-9-16(14)18-4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyAWRVCPDSGCQCGR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (CID 65131449) is 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC(C)C)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is AWRVCPDSGCQCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-10-17-15(12-19-13(2)3)11-14-8-6-7-9-16(14)18-4/h6-9,13,15,17H,5,10-12H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 65131449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).