3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine

C11H18ClNOS — CID 106306224

IUPAC3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESClCCOCCCNCCc1cccs1
InChIInChI=1S/C11H18ClNOS/c12-5-9-14-8-2-6-13-7-4-11-3-1-10-15-11/h1,3,10,13H,2,4-9H2
InChIKeyWIUIDSOFPQRAAF-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.53
Rot. Bonds9

About 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine

3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 106306224) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID106306224
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESClCCOCCCNCCc1cccs1
InChIInChI=1S/C11H18ClNOS/c12-5-9-14-8-2-6-13-7-4-11-3-1-10-15-11/h1,3,10,13H,2,4-9H2
InChIKeyWIUIDSOFPQRAAF-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106306185
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
CID 62565758
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 106306224) is 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine is ClCCOCCCNCCc1cccs1.
What is the InChIKey of 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is WIUIDSOFPQRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c12-5-9-14-8-2-6-13-7-4-11-3-1-10-15-11/h1,3,10,13H,2,4-9H2.
What are the key properties of 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine?
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 247.79 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 106306224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).