4-thiophen-2-yloxybutan-1-amine

C8H13NOS — CID 83807030

IUPAC4-thiophen-2-yloxybutan-1-amine
SMILESNCCCCOc1cccs1
InChIInChI=1S/C8H13NOS/c9-5-1-2-6-10-8-4-3-7-11-8/h3-4,7H,1-2,5-6,9H2
InChIKeyRJBPZTLZOWIRSW-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.87
Rot. Bonds5

About 4-thiophen-2-yloxybutan-1-amine

4-thiophen-2-yloxybutan-1-amine (PubChem CID 83807030) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-thiophen-2-yloxybutan-1-amine.

Molecular Properties

Compound Name4-thiophen-2-yloxybutan-1-amine
PubChem CID83807030
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name4-thiophen-2-yloxybutan-1-amine
SMILESNCCCCOc1cccs1
InChIInChI=1S/C8H13NOS/c9-5-1-2-6-10-8-4-3-7-11-8/h3-4,7H,1-2,5-6,9H2
InChIKeyRJBPZTLZOWIRSW-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.87
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

2-octoxythiophene
CID 66725658
2-hexoxythiophene
CID 14473225
11-thiophen-2-yloxyundecanoic acid
CID 69270363
2-(4-ethylhexoxy)thiophene
CID 175479454
2-pent-3-enoxythiophene
CID 175415883
prop-1-en-2-olate;2-propoxythiophene
CID 22763205
10-thiophen-2-yldecan-1-amine
CID 22115195
2-(2-cyclooctyloxyethoxy)thiophene
CID 19004463
CID 67905364
CID 67905364
ethane-1,2-diamine;thiophene-2-thiol
CID 143882980
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yloxybutan-1-amine?
The IUPAC name of 4-thiophen-2-yloxybutan-1-amine (CID 83807030) is 4-thiophen-2-yloxybutan-1-amine.
What is the SMILES notation for 4-thiophen-2-yloxybutan-1-amine?
The canonical SMILES for 4-thiophen-2-yloxybutan-1-amine is NCCCCOc1cccs1.
What is the InChIKey of 4-thiophen-2-yloxybutan-1-amine?
The InChIKey is RJBPZTLZOWIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c9-5-1-2-6-10-8-4-3-7-11-8/h3-4,7H,1-2,5-6,9H2.
What are the key properties of 4-thiophen-2-yloxybutan-1-amine?
4-thiophen-2-yloxybutan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yloxybutan-1-amine is sourced from PubChem (CID 83807030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).