3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine

C11H19NOS — CID 123794128

IUPAC3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCCc1ccc(OCCCN(C)C)s1
InChIInChI=1S/C11H19NOS/c1-4-10-6-7-11(14-10)13-9-5-8-12(2)3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyDFPOPVJARLDZLV-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.64
Rot. Bonds6

About 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine

3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 123794128) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine
PubChem CID123794128
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCCc1ccc(OCCCN(C)C)s1
InChIInChI=1S/C11H19NOS/c1-4-10-6-7-11(14-10)13-9-5-8-12(2)3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyDFPOPVJARLDZLV-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-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

2-ethyl-5-methoxythiophene
CID 59502951
2,5-diethylthiophene
CID 521294
2,5-dipropoxythiophene
CID 18915039
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
3-[[1-(5-ethylthiophen-2-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylpropan-1-amine
CID 4037736
1,3-bis(5-tetradecoxythiophen-2-yl)propan-2-one
CID 54201238
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 67164998
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 135198524
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine (CID 123794128) is 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine is CCc1ccc(OCCCN(C)C)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is DFPOPVJARLDZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-10-6-7-11(14-10)13-9-5-8-12(2)3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine?
3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 123794128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).