6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H26N2OS — CID 103783282

IUPAC6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCN1CCSCC1
InChIInChI=1S/C17H26N2OS/c1-20-15-5-6-16-14(13-15)3-2-4-17(16)18-7-8-19-9-11-21-12-10-19/h5-6,13,17-18H,2-4,7-12H2,1H3
InChIKeyLLHVKTGUPXUHFB-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.71
Rot. Bonds5

About 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103783282) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103783282
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCN1CCSCC1
InChIInChI=1S/C17H26N2OS/c1-20-15-5-6-16-14(13-15)3-2-4-17(16)18-7-8-19-9-11-21-12-10-19/h5-6,13,17-18H,2-4,7-12H2,1H3
InChIKeyLLHVKTGUPXUHFB-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80685808
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115727420
1-[4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butyl]pyridin-2-one
CID 91644766
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
N-(2-thiomorpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783260
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103783282) is 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCCN1CCSCC1.
What is the InChIKey of 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LLHVKTGUPXUHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-20-15-5-6-16-14(13-15)3-2-4-17(16)18-7-8-19-9-11-21-12-10-19/h5-6,13,17-18H,2-4,7-12H2,1H3.
What are the key properties of 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 306.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103783282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).