1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol

C17H27NO2S — CID 97326402

IUPAC1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol
SMILESCOc1ccc2c(c1)C[C@H](NCCSCC(C)(C)O)CC2
InChIInChI=1S/C17H27NO2S/c1-17(2,19)12-21-9-8-18-15-6-4-13-5-7-16(20-3)11-14(13)10-15/h5,7,11,15,18-19H,4,6,8-10,12H2,1-3H3/t15-/m1/s1
InChIKeyUZNDYJZRNCOIOG-OAHLLOKOSA-N
MW309.48 g/mol
LogP2.65
Rot. Bonds7

About 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol

1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol (PubChem CID 97326402) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol
PubChem CID97326402
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol
SMILESCOc1ccc2c(c1)C[C@H](NCCSCC(C)(C)O)CC2
InChIInChI=1S/C17H27NO2S/c1-17(2,19)12-21-9-8-18-15-6-4-13-5-7-16(20-3)11-14(13)10-15/h5,7,11,15,18-19H,4,6,8-10,12H2,1-3H3/t15-/m1/s1
InChIKeyUZNDYJZRNCOIOG-OAHLLOKOSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.65
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

7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103901402
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpentan-2-ol
CID 103845700
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
N-tert-butyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 115510654
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol (CID 97326402) is 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol is COc1ccc2c(c1)C[C@H](NCCSCC(C)(C)O)CC2.
What is the InChIKey of 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol?
The InChIKey is UZNDYJZRNCOIOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-17(2,19)12-21-9-8-18-15-6-4-13-5-7-16(20-3)11-14(13)10-15/h5,7,11,15,18-19H,4,6,8-10,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol?
1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol has a molecular weight of 309.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol is sourced from PubChem (CID 97326402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).