N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine

C13H23NO2S — CID 62584051

IUPACN-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
SMILESCCOCCCNCC(C)OCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-3-15-8-5-7-14-10-12(2)16-11-13-6-4-9-17-13/h4,6,9,12,14H,3,5,7-8,10-11H2,1-2H3
InChIKeyURLQDQHRXVUDTL-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.67
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine

N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine (PubChem CID 62584051) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
PubChem CID62584051
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
SMILESCCOCCCNCC(C)OCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-3-15-8-5-7-14-10-12(2)16-11-13-6-4-9-17-13/h4,6,9,12,14H,3,5,7-8,10-11H2,1-2H3
InChIKeyURLQDQHRXVUDTL-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
2-(ethoxymethyl)thiophene
CID 12699283
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
CID 115000398
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine (CID 62584051) is N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine is CCOCCCNCC(C)OCc1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine?
The InChIKey is URLQDQHRXVUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-15-8-5-7-14-10-12(2)16-11-13-6-4-9-17-13/h4,6,9,12,14H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine?
N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62584051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).