N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine

C11H19NOS — CID 62485827

IUPACN-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
SMILESCCNCCCOCCc1cccs1
InChIInChI=1S/C11H19NOS/c1-2-12-7-4-8-13-9-6-11-5-3-10-14-11/h3,5,10,12H,2,4,6-9H2,1H3
InChIKeyPBGIMJSJCXJDCQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.31
Rot. Bonds8

About N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine

N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine (PubChem CID 62485827) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
PubChem CID62485827
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
SMILESCCNCCCOCCc1cccs1
InChIInChI=1S/C11H19NOS/c1-2-12-7-4-8-13-9-6-11-5-3-10-14-11/h3,5,10,12H,2,4,6-9H2,1H3
InChIKeyPBGIMJSJCXJDCQ-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.31
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

N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
2-(5-pentoxypentyl)thiophene
CID 91586139
3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106306185
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
CID 64571440
N-ethyl-2-methyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62355435
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine (CID 62485827) is N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine is CCNCCCOCCc1cccs1.
What is the InChIKey of N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine?
The InChIKey is PBGIMJSJCXJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-12-7-4-8-13-9-6-11-5-3-10-14-11/h3,5,10,12H,2,4,6-9H2,1H3.
What are the key properties of N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine?
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine is sourced from PubChem (CID 62485827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).