(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C13H19NO3 — CID 79014185

IUPAC(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc2c(c(OC)c1OC)CCC[C@H]2N
InChIInChI=1S/C13H19NO3/c1-15-11-7-9-8(5-4-6-10(9)14)12(16-2)13(11)17-3/h7,10H,4-6,14H2,1-3H3/t10-/m1/s1
InChIKeyHWGQKXGDNDHPFW-SNVBAGLBSA-N
MW237.30 g/mol
LogP2.05
Rot. Bonds3

About (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79014185) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79014185
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc2c(c(OC)c1OC)CCC[C@H]2N
InChIInChI=1S/C13H19NO3/c1-15-11-7-9-8(5-4-6-10(9)14)12(16-2)13(11)17-3/h7,10H,4-6,14H2,1-3H3/t10-/m1/s1
InChIKeyHWGQKXGDNDHPFW-SNVBAGLBSA-N
XLogP2.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79014185) is (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc2c(c(OC)c1OC)CCC[C@H]2N.
What is the InChIKey of (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HWGQKXGDNDHPFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-7-9-8(5-4-6-10(9)14)12(16-2)13(11)17-3/h7,10H,4-6,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 237.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79014185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).