N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C13H19NO — CID 12581156

IUPACN-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C13H19NO/c1-3-14-11-7-8-12-10(9-11)5-4-6-13(12)15-2/h4-6,11,14H,3,7-9H2,1-2H3
InChIKeyPBBXHMUHWXEQJW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12581156) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12581156
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C13H19NO/c1-3-14-11-7-8-12-10(9-11)5-4-6-13(12)15-2/h4-6,11,14H,3,7-9H2,1-2H3
InChIKeyPBBXHMUHWXEQJW-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12581156) is N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCNC1CCc2c(cccc2OC)C1.
What is the InChIKey of N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PBBXHMUHWXEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-11-7-8-12-10(9-11)5-4-6-13(12)15-2/h4-6,11,14H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12581156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).