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

C13H19NO — CID 54163043

IUPAC1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCOC1c2ccccc2CCC1N
InChIInChI=1S/C13H19NO/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h3-6,12-13H,2,7-9,14H2,1H3
InChIKeyOPTFTGLHFJESRT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds3

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

1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 54163043) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID54163043
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCOC1c2ccccc2CCC1N
InChIInChI=1S/C13H19NO/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h3-6,12-13H,2,7-9,14H2,1H3
InChIKeyOPTFTGLHFJESRT-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 54163043) is 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCCOC1c2ccccc2CCC1N.
What is the InChIKey of 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OPTFTGLHFJESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h3-6,12-13H,2,7-9,14H2,1H3.
What are the key properties of 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 54163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).