N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine

C13H23NOS — CID 116719262

IUPACN-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
SMILESCCCC(OC)C(NCC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-5-7-11(15-4)12(14-6-2)13-10(3)8-9-16-13/h8-9,11-12,14H,5-7H2,1-4H3
InChIKeyHBXIBRXHODLAKR-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds7

About N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine

N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine (PubChem CID 116719262) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
PubChem CID116719262
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
SMILESCCCC(OC)C(NCC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-5-7-11(15-4)12(14-6-2)13-10(3)8-9-16-13/h8-9,11-12,14H,5-7H2,1-4H3
InChIKeyHBXIBRXHODLAKR-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-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

N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine
CID 116719131
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102833855
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
3-methyl-2-pentan-2-ylthiophene
CID 59774172
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684
1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 107360210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine (CID 116719262) is N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine is CCCC(OC)C(NCC)c1sccc1C.
What is the InChIKey of N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine?
The InChIKey is HBXIBRXHODLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-7-11(15-4)12(14-6-2)13-10(3)8-9-16-13/h8-9,11-12,14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine?
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 116719262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).