7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride

C17H28ClNO2 — CID 173208290

IUPAC7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
SMILESCCC1(CC)c2cc(O)ccc2CC(OC(C)C)C1N.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-5-17(6-2)14-10-13(19)8-7-12(14)9-15(16(17)18)20-11(3)4;/h7-8,10-11,15-16,19H,5-6,9,18H2,1-4H3;1H
InChIKeyWAPKDSSEPYGDOD-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.55
Rot. Bonds4

About 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride

7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride (PubChem CID 173208290) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
PubChem CID173208290
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
SMILESCCC1(CC)c2cc(O)ccc2CC(OC(C)C)C1N.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-5-17(6-2)14-10-13(19)8-7-12(14)9-15(16(17)18)20-11(3)4;/h7-8,10-11,15-16,19H,5-6,9,18H2,1-4H3;1H
InChIKeyWAPKDSSEPYGDOD-UHFFFAOYSA-N
XLogP3.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride with MolForge

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Related Compounds

(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
CID 57221306
(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 66675210
3-[[(2S,3S)-3-amino-4,4-diethyl-6-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanoic acid
CID 18343367
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343373
2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide
CID 66674337
2-benzyl-3-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]propanoic acid
CID 66674723
(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 20751625
7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343453
(1R,14S)-14-amino-1-ethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-4-ol
CID 90679415
7-amino-8,8-diethyl-6-methyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 130285552
cyclohexylmethyl 4-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]butanoate
CID 42633464
[3-(3-ethoxy-3-oxopropyl)sulfanyl-1,1-diethyl-7-hydroxy-3,4-dihydro-2H-naphthalen-2-yl]azanium
CID 18377141

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
The IUPAC name of 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride (CID 173208290) is 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
The canonical SMILES for 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride is CCC1(CC)c2cc(O)ccc2CC(OC(C)C)C1N.Cl.
What is the InChIKey of 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
The InChIKey is WAPKDSSEPYGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c1-5-17(6-2)14-10-13(19)8-7-12(14)9-15(16(17)18)20-11(3)4;/h7-8,10-11,15-16,19H,5-6,9,18H2,1-4H3;1H.
What are the key properties of 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride?
7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 173208290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).