(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27NO2S — CID 97101812

IUPAC(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC[C@@H]2NCC1(SC)CCOCC1
InChIInChI=1S/C18H27NO2S/c1-20-15-6-7-16-14(12-15)4-3-5-17(16)19-13-18(22-2)8-10-21-11-9-18/h6-7,12,17,19H,3-5,8-11,13H2,1-2H3/t17-/m0/s1
InChIKeyMVAKIXVAFLCEBV-KRWDZBQOSA-N
MW321.49 g/mol
LogP3.57
Rot. Bonds5

About (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 97101812) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID97101812
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC[C@@H]2NCC1(SC)CCOCC1
InChIInChI=1S/C18H27NO2S/c1-20-15-6-7-16-14(12-15)4-3-5-17(16)19-13-18(22-2)8-10-21-11-9-18/h6-7,12,17,19H,3-5,8-11,13H2,1-2H3/t17-/m0/s1
InChIKeyMVAKIXVAFLCEBV-KRWDZBQOSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107269889
6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107269775
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270752
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981083
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
(5S)-8-fluoro-N-[(4-methylsulfanyloxan-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 99853403
2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 97101812) is (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC[C@@H]2NCC1(SC)CCOCC1.
What is the InChIKey of (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MVAKIXVAFLCEBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-20-15-6-7-16-14(12-15)4-3-5-17(16)19-13-18(22-2)8-10-21-11-9-18/h6-7,12,17,19H,3-5,8-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 321.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 97101812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).