1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C12H17NO — CID 599922

IUPAC1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOC1c2ccccc2CCC1N
InChIInChI=1S/C12H17NO/c1-2-14-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-6,11-12H,2,7-8,13H2,1H3
InChIKeyIQWNRHOGPNPAOO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds2

About 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 599922) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID599922
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCOC1c2ccccc2CCC1N
InChIInChI=1S/C12H17NO/c1-2-14-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-6,11-12H,2,7-8,13H2,1H3
InChIKeyIQWNRHOGPNPAOO-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 599922) is 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCOC1c2ccccc2CCC1N.
What is the InChIKey of 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IQWNRHOGPNPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-6,11-12H,2,7-8,13H2,1H3.
What are the key properties of 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 599922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).