4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine

C13H23NOS — CID 79989421

IUPAC4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-4-8-14-12(6-5-9-15-3)13-11(2)7-10-16-13/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyTXTDYXWJICWLQJ-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds8

About 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine

4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine (PubChem CID 79989421) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
PubChem CID79989421
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-4-8-14-12(6-5-9-15-3)13-11(2)7-10-16-13/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyTXTDYXWJICWLQJ-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
1-(2-bromo-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 107985503

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine (CID 79989421) is 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine is CCCNC(CCCOC)c1sccc1C.
What is the InChIKey of 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine?
The InChIKey is TXTDYXWJICWLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-8-14-12(6-5-9-15-3)13-11(2)7-10-16-13/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine?
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79989421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).