N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine

C13H20ClNOS — CID 104668498

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESClc1ccc(CCNCCCC2CCCO2)s1
InChIInChI=1S/C13H20ClNOS/c14-13-6-5-12(17-13)7-9-15-8-1-3-11-4-2-10-16-11/h5-6,11,15H,1-4,7-10H2
InChIKeyQLRBZXFGQFYYSL-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104668498) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID104668498
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESClc1ccc(CCNCCCC2CCCO2)s1
InChIInChI=1S/C13H20ClNOS/c14-13-6-5-12(17-13)7-9-15-8-1-3-11-4-2-10-16-11/h5-6,11,15H,1-4,7-10H2
InChIKeyQLRBZXFGQFYYSL-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.49
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

6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-[(5-chlorothiophen-2-yl)methyl]-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495878
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797
1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983947
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
CID 107274414
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106046675
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine (CID 104668498) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine is Clc1ccc(CCNCCCC2CCCO2)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is QLRBZXFGQFYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c14-13-6-5-12(17-13)7-9-15-8-1-3-11-4-2-10-16-11/h5-6,11,15H,1-4,7-10H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 273.83 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104668498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).