5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C20H27NO2S — CID 70072275

IUPAC5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCNC1CCc2c(OC)cccc2C1CCOc1cccs1
InChIInChI=1S/C20H27NO2S/c1-3-12-21-18-10-9-17-15(6-4-7-19(17)22-2)16(18)11-13-23-20-8-5-14-24-20/h4-8,14,16,18,21H,3,9-13H2,1-2H3
InChIKeyUYGFBQIYBDUPHP-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.62
Rot. Bonds8

About 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 70072275) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID70072275
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCNC1CCc2c(OC)cccc2C1CCOc1cccs1
InChIInChI=1S/C20H27NO2S/c1-3-12-21-18-10-9-17-15(6-4-7-19(17)22-2)16(18)11-13-23-20-8-5-14-24-20/h4-8,14,16,18,21H,3,9-13H2,1-2H3
InChIKeyUYGFBQIYBDUPHP-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714563
(1S,2R)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70232451
2-[5-acetyloxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 90980690
[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10014964
(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride
CID 70232746
(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714594
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65453675
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 70072275) is 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCCNC1CCc2c(OC)cccc2C1CCOc1cccs1.
What is the InChIKey of 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UYGFBQIYBDUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-3-12-21-18-10-9-17-15(6-4-7-19(17)22-2)16(18)11-13-23-20-8-5-14-24-20/h4-8,14,16,18,21H,3,9-13H2,1-2H3.
What are the key properties of 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 345.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 70072275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).