(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride

C18H33ClN2O2 — CID 70232746

IUPAC(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC.CON.Cl
InChIInChI=1S/C17H27NO.CH5NO.ClH/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14;1-3-2;/h6,8-9,14-15,18H,4-5,7,10-12H2,1-3H3;2H2,1H3;1H/t14-,15-;;/m1../s1
InChIKeyQWRFSHHYCRSMLG-FXUMYAARSA-N
MW344.93 g/mol
LogP3.82
Rot. Bonds6

About (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride

(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride (PubChem CID 70232746) has the molecular formula C18H33ClN2O2 and a molecular weight of 344.93 g/mol. Its IUPAC name is (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride
PubChem CID70232746
Molecular FormulaC18H33ClN2O2
Molecular Weight344.93 g/mol
Exact Mass344.22
IUPAC Name(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC.CON.Cl
InChIInChI=1S/C17H27NO.CH5NO.ClH/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14;1-3-2;/h6,8-9,14-15,18H,4-5,7,10-12H2,1-3H3;2H2,1H3;1H/t14-,15-;;/m1../s1
InChIKeyQWRFSHHYCRSMLG-FXUMYAARSA-N
XLogP3.82
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride?
The IUPAC name of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride (CID 70232746) is (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride.
What is the SMILES notation for (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride?
The canonical SMILES for (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride is CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC.CON.Cl.
What is the InChIKey of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride?
The InChIKey is QWRFSHHYCRSMLG-FXUMYAARSA-N. The full InChI is InChI=1S/C17H27NO.CH5NO.ClH/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14;1-3-2;/h6,8-9,14-15,18H,4-5,7,10-12H2,1-3H3;2H2,1H3;1H/t14-,15-;;/m1../s1.
What are the key properties of (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride?
(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 70232746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).