(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride

C13H20ClNO2 — CID 66675210

IUPAC(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
SMILESCO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14;/h4-5,7,11-12,15H,6,14H2,1-3H3;1H/t11-,12+;/m0./s1
InChIKeyPSDFPDGHOHKKJO-ZVWHLABXSA-N
MW257.76 g/mol
LogP1.99
Rot. Bonds1

About (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride

(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride (PubChem CID 66675210) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
PubChem CID66675210
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
SMILESCO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14;/h4-5,7,11-12,15H,6,14H2,1-3H3;1H/t11-,12+;/m0./s1
InChIKeyPSDFPDGHOHKKJO-ZVWHLABXSA-N
XLogP1.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride with MolForge

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Related Compounds

(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 20751625
tert-butyl N-[(2S,3S)-7-hydroxy-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 66674647
2-[[(2S,3S)-3-amino-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanamide;hydrochloride
CID 18343380
(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 70023137
7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343453
7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 18343451
(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
CID 70158457
7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 173208290
2-[(3-amino-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]propanamide
CID 18377118
(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 18343364
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
CID 57221306

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
The IUPAC name of (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride (CID 66675210) is (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride.
What is the SMILES notation for (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
The canonical SMILES for (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride is CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N.Cl.
What is the InChIKey of (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
The InChIKey is PSDFPDGHOHKKJO-ZVWHLABXSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14;/h4-5,7,11-12,15H,6,14H2,1-3H3;1H/t11-,12+;/m0./s1.
What are the key properties of (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 66675210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).