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

C18H29NO2 — CID 104628924

IUPAC6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCC(C)(C)CNC1CCCc2cc(OC)ccc21
InChIInChI=1S/C18H29NO2/c1-18(2,10-11-20-3)13-19-17-7-5-6-14-12-15(21-4)8-9-16(14)17/h8-9,12,17,19H,5-7,10-11,13H2,1-4H3
InChIKeyVTWPUXCMYXJCHP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.72
Rot. Bonds7

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

6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 104628924) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID104628924
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCC(C)(C)CNC1CCCc2cc(OC)ccc21
InChIInChI=1S/C18H29NO2/c1-18(2,10-11-20-3)13-19-17-7-5-6-14-12-15(21-4)8-9-16(14)17/h8-9,12,17,19H,5-7,10-11,13H2,1-4H3
InChIKeyVTWPUXCMYXJCHP-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787626
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
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-methoxyethyl)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115708011
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
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
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 104628924) is 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COCCC(C)(C)CNC1CCCc2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VTWPUXCMYXJCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,10-11-20-3)13-19-17-7-5-6-14-12-15(21-4)8-9-16(14)17/h8-9,12,17,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 104628924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).