4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine

C16H25NO — CID 114855994

IUPAC4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCNC(CCCOC)C1CCc2ccccc2C1
InChIInChI=1S/C16H25NO/c1-17-16(8-5-11-18-2)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,15-17H,5,8-12H2,1-2H3
InChIKeyRVJCGOKPPAJIOB-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.81
Rot. Bonds6

About 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine

4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine (PubChem CID 114855994) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine
PubChem CID114855994
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCNC(CCCOC)C1CCc2ccccc2C1
InChIInChI=1S/C16H25NO/c1-17-16(8-5-11-18-2)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,15-17H,5,8-12H2,1-2H3
InChIKeyRVJCGOKPPAJIOB-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 83161896
[2-methoxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 105234697
2-(2-chlorophenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405558
N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 65404001
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643
2-cyclopentyl-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 65412477
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172
1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine
CID 105054829

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine (CID 114855994) is 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine is CNC(CCCOC)C1CCc2ccccc2C1.
What is the InChIKey of 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine?
The InChIKey is RVJCGOKPPAJIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17-16(8-5-11-18-2)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,15-17H,5,8-12H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine?
4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine is sourced from PubChem (CID 114855994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).