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

C18H21NO2 — CID 20751625

IUPAC(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2C[C@H](Oc2ccccc2)[C@H]1N
InChIInChI=1S/C18H21NO2/c1-18(2)15-11-13(20)9-8-12(15)10-16(17(18)19)21-14-6-4-3-5-7-14/h3-9,11,16-17,20H,10,19H2,1-2H3/t16-,17+/m0/s1
InChIKeyPUVCKENSCHYETC-DLBZAZTESA-N
MW283.37 g/mol
LogP3.00
Rot. Bonds2

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

(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 20751625) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID20751625
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2C[C@H](Oc2ccccc2)[C@H]1N
InChIInChI=1S/C18H21NO2/c1-18(2)15-11-13(20)9-8-12(15)10-16(17(18)19)21-14-6-4-3-5-7-14/h3-9,11,16-17,20H,10,19H2,1-2H3/t16-,17+/m0/s1
InChIKeyPUVCKENSCHYETC-DLBZAZTESA-N
XLogP3.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 11333521
6-Methoxy-8,8-dimethyl-7-((E)-3-phenyl-allylamino)-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10315026
7-Amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10443502
3-Amino-4,4-dimethyl-1,2,3,4-tetrahydro-naphthalene-2,6-diol
CID 44336603
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]propane-1-sulfonamide
CID 57471298
(9R)-1,13,13-trimethyl-10-[(2S)-2-phenoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 71454472
(9R)-1,13,13-trimethyl-10-[(2R)-2-phenoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 71456170
(9S)-1,13,13-trimethyl-10-[(2S)-2-phenoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 71458025
(9S)-1,13,13-trimethyl-10-[(2R)-2-phenoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 71461590
6-Methoxy-4-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen chloride (1/1)
CID 208346
7-Methoxy-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen chloride (1/1)
CID 211474
6-amino-3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 44324311

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol (CID 20751625) is (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol is CC1(C)c2cc(O)ccc2C[C@H](Oc2ccccc2)[C@H]1N.
What is the InChIKey of (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is PUVCKENSCHYETC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)15-11-13(20)9-8-12(15)10-16(17(18)19)21-14-6-4-3-5-7-14/h3-9,11,16-17,20H,10,19H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol?
(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 283.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 20751625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).