N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine

C13H23NO2S — CID 103178999

IUPACN-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOCCCOCCNC(C)Cc1cccs1
InChIInChI=1S/C13H23NO2S/c1-12(11-13-5-3-10-17-13)14-6-9-16-8-4-7-15-2/h3,5,10,12,14H,4,6-9,11H2,1-2H3
InChIKeyBLEHPCUWOZVCLU-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.32
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine

N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 103178999) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID103178999
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOCCCOCCNC(C)Cc1cccs1
InChIInChI=1S/C13H23NO2S/c1-12(11-13-5-3-10-17-13)14-6-9-16-8-4-7-15-2/h3,5,10,12,14H,4,6-9,11H2,1-2H3
InChIKeyBLEHPCUWOZVCLU-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916
1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115579604
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine (CID 103178999) is N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine is COCCCOCCNC(C)Cc1cccs1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is BLEHPCUWOZVCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-12(11-13-5-3-10-17-13)14-6-9-16-8-4-7-15-2/h3,5,10,12,14H,4,6-9,11H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine?
N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 103178999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).