1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine

C15H27NOS — CID 55020955

IUPAC1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
SMILESCCCCCCC(C)OC(c1cccs1)C(C)N
InChIInChI=1S/C15H27NOS/c1-4-5-6-7-9-12(2)17-15(13(3)16)14-10-8-11-18-14/h8,10-13,15H,4-7,9,16H2,1-3H3
InChIKeyCPLPONPRSYQIOA-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.51
Rot. Bonds9

About 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine

1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine (PubChem CID 55020955) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
PubChem CID55020955
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
SMILESCCCCCCC(C)OC(c1cccs1)C(C)N
InChIInChI=1S/C15H27NOS/c1-4-5-6-7-9-12(2)17-15(13(3)16)14-10-8-11-18-14/h8,10-13,15H,4-7,9,16H2,1-3H3
InChIKeyCPLPONPRSYQIOA-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
1-(3-bromophenyl)-1-octan-2-yloxypropan-2-amine
CID 63459544
2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
1-hexoxy-1-thiophen-2-ylbutan-2-amine
CID 55021024
2-(1-bromononyl)thiophene
CID 65427153
methyl 2-thiophen-2-yloctanoate
CID 67745736
2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
1-(2-fluorophenyl)-1-octan-2-yloxybutan-2-amine
CID 63459546
1-thiophen-2-yltridecan-2-amine
CID 65428259
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923

Frequently Asked Questions

What is the IUPAC name of 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine (CID 55020955) is 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine is CCCCCCC(C)OC(c1cccs1)C(C)N.
What is the InChIKey of 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine?
The InChIKey is CPLPONPRSYQIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-4-5-6-7-9-12(2)17-15(13(3)16)14-10-8-11-18-14/h8,10-13,15H,4-7,9,16H2,1-3H3.
What are the key properties of 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine?
1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine has a molecular weight of 269.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 55020955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).