(1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C14H21NO3 — CID 13286560

IUPAC(1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOCc1c(OC)ccc2c1CC[C@@H](N)[C@@H]2O
InChIInChI=1S/C14H21NO3/c1-3-18-8-11-9-4-6-12(15)14(16)10(9)5-7-13(11)17-2/h5,7,12,14,16H,3-4,6,8,15H2,1-2H3/t12-,14-/m1/s1
InChIKeyMCUQZSWFDUBZLR-TZMCWYRMSA-N
MW251.33 g/mol
LogP1.54
Rot. Bonds4

About (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13286560) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13286560
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOCc1c(OC)ccc2c1CC[C@@H](N)[C@@H]2O
InChIInChI=1S/C14H21NO3/c1-3-18-8-11-9-4-6-12(15)14(16)10(9)5-7-13(11)17-2/h5,7,12,14,16H,3-4,6,8,15H2,1-2H3/t12-,14-/m1/s1
InChIKeyMCUQZSWFDUBZLR-TZMCWYRMSA-N
XLogP1.54
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13286560) is (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is CCOCc1c(OC)ccc2c1CC[C@@H](N)[C@@H]2O.
What is the InChIKey of (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is MCUQZSWFDUBZLR-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-8-11-9-4-6-12(15)14(16)10(9)5-7-13(11)17-2/h5,7,12,14,16H,3-4,6,8,15H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-5-(ethoxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13286560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).