(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol

C22H29NO3 — CID 57221306

IUPAC(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
SMILESCCC1(CC)c2cc(O)ccc2C[C@H](OCCOc2ccccc2)C1N
InChIInChI=1S/C22H29NO3/c1-3-22(4-2)19-15-17(24)11-10-16(19)14-20(21(22)23)26-13-12-25-18-8-6-5-7-9-18/h5-11,15,20-21,24H,3-4,12-14,23H2,1-2H3/t20-,21?/m0/s1
InChIKeyPAMYLAKXTWSLEU-BGERDNNASA-N
MW355.48 g/mol
LogP3.80
Rot. Bonds7

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

(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 57221306) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID57221306
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
SMILESCCC1(CC)c2cc(O)ccc2C[C@H](OCCOc2ccccc2)C1N
InChIInChI=1S/C22H29NO3/c1-3-22(4-2)19-15-17(24)11-10-16(19)14-20(21(22)23)26-13-12-25-18-8-6-5-7-9-18/h5-11,15,20-21,24H,3-4,12-14,23H2,1-2H3/t20-,21?/m0/s1
InChIKeyPAMYLAKXTWSLEU-BGERDNNASA-N
XLogP3.80
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343373
7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 173208290
[1,1-diethyl-7-hydroxy-3-(2-phenoxyethylsulfanyl)-3,4-dihydro-2H-naphthalen-2-yl]azanium
CID 18343418
(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 20751625
3-[[(2S,3S)-3-amino-4,4-diethyl-6-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanoic acid
CID 18343367
2,2-dimethyl-6-(2-phenoxyethoxy)cyclohexan-1-amine
CID 79836751
7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 142001695
2-benzyl-3-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]propanoic acid
CID 66674723
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
cyclohexylmethyl 4-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]butanoate
CID 42633464
4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine
CID 43100600
2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide
CID 66674337

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol (CID 57221306) is (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol is CCC1(CC)c2cc(O)ccc2C[C@H](OCCOc2ccccc2)C1N.
What is the InChIKey of (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is PAMYLAKXTWSLEU-BGERDNNASA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-22(4-2)19-15-17(24)11-10-16(19)14-20(21(22)23)26-13-12-25-18-8-6-5-7-9-18/h5-11,15,20-21,24H,3-4,12-14,23H2,1-2H3/t20-,21?/m0/s1.
What are the key properties of (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol?
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 355.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 57221306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).