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

C18H23NOS — CID 65453675

IUPACN-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OCc3cccs3)cccc21
InChIInChI=1S/C18H23NOS/c1-2-11-19-17-9-3-8-16-15(17)7-4-10-18(16)20-13-14-6-5-12-21-14/h4-7,10,12,17,19H,2-3,8-9,11,13H2,1H3
InChIKeyQFIDGHAWMFGRRS-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.70
Rot. Bonds6

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

N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65453675) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65453675
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OCc3cccs3)cccc21
InChIInChI=1S/C18H23NOS/c1-2-11-19-17-9-3-8-16-15(17)7-4-10-18(16)20-13-14-6-5-12-21-14/h4-7,10,12,17,19H,2-3,8-9,11,13H2,1H3
InChIKeyQFIDGHAWMFGRRS-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65453675) is N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2c(OCc3cccs3)cccc21.
What is the InChIKey of N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QFIDGHAWMFGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-11-19-17-9-3-8-16-15(17)7-4-10-18(16)20-13-14-6-5-12-21-14/h4-7,10,12,17,19H,2-3,8-9,11,13H2,1H3.
What are the key properties of N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65453675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).