7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol

C20H24ClNO2S — CID 142001695

IUPAC7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CC(SCCOc2ccccc2)C1NCl
InChIInChI=1S/C20H24ClNO2S/c1-20(2)17-13-15(23)9-8-14(17)12-18(19(20)22-21)25-11-10-24-16-6-4-3-5-7-16/h3-9,13,18-19,22-23H,10-12H2,1-2H3
InChIKeyANFXDGAQFBPLKR-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.52
Rot. Bonds6

About 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol

7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 142001695) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID142001695
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC Name7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CC(SCCOc2ccccc2)C1NCl
InChIInChI=1S/C20H24ClNO2S/c1-20(2)17-13-15(23)9-8-14(17)12-18(19(20)22-21)25-11-10-24-16-6-4-3-5-7-16/h3-9,13,18-19,22-23H,10-12H2,1-2H3
InChIKeyANFXDGAQFBPLKR-UHFFFAOYSA-N
XLogP4.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1,1-diethyl-7-hydroxy-3-(2-phenoxyethylsulfanyl)-3,4-dihydro-2H-naphthalen-2-yl]azanium
CID 18343418
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343373
(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 18343364
(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
2-[3-[[6-hydroxy-4,4-dimethyl-3-(methylamino)-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanoylamino]-3-(4-hydroxyphenyl)propanamide
CID 142001691
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
CID 57221306
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
benzene;1-methyl-3-(2-phenoxyethyl)azetidine;5,6,7,8-tetrahydronaphthalen-2-ol
CID 145309213
6-chloro-2,3,3-trimethyl-1-(2-phenoxyethyl)-2H-indole
CID 54514499
2-(2-methylprop-2-enylsulfanyl)ethoxybenzene
CID 112777198

Frequently Asked Questions

What is the IUPAC name of 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol (CID 142001695) is 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol is CC1(C)c2cc(O)ccc2CC(SCCOc2ccccc2)C1NCl.
What is the InChIKey of 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is ANFXDGAQFBPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-20(2)17-13-15(23)9-8-14(17)12-18(19(20)22-21)25-11-10-24-16-6-4-3-5-7-16/h3-9,13,18-19,22-23H,10-12H2,1-2H3.
What are the key properties of 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol?
7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 377.94 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloroamino)-8,8-dimethyl-6-(2-phenoxyethylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 142001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).