4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride

C20H28ClNO2 — CID 67867533

IUPAC4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride
SMILESCNCC(CCc1ccco1)COc1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-21-14-16(8-10-19-7-4-12-22-19)15-23-20-11-9-17-5-2-3-6-18(17)13-20;/h4,7,9,11-13,16,21H,2-3,5-6,8,10,14-15H2,1H3;1H
InChIKeyVAFVRYHCDBMARH-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.43
Rot. Bonds8

About 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride

4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride (PubChem CID 67867533) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride
PubChem CID67867533
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride
SMILESCNCC(CCc1ccco1)COc1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-21-14-16(8-10-19-7-4-12-22-19)15-23-20-11-9-17-5-2-3-6-18(17)13-20;/h4,7,9,11-13,16,21H,2-3,5-6,8,10,14-15H2,1H3;1H
InChIKeyVAFVRYHCDBMARH-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride with MolForge

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Related Compounds

4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine
CID 67867534
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-4-thiophen-2-ylbutan-1-amine
CID 67867247
2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 67868038
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 9390786
1-(2,3-dihydro-1H-inden-5-yl)-3-(furan-2-yl)propan-1-ol
CID 114195082
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234960
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62459279
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride?
The IUPAC name of 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride (CID 67867533) is 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride is CNCC(CCc1ccco1)COc1ccc2c(c1)CCCC2.Cl.
What is the InChIKey of 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride?
The InChIKey is VAFVRYHCDBMARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-21-14-16(8-10-19-7-4-12-22-19)15-23-20-11-9-17-5-2-3-6-18(17)13-20;/h4,7,9,11-13,16,21H,2-3,5-6,8,10,14-15H2,1H3;1H.
What are the key properties of 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride?
4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 67867533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).