N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine

C17H21NO2 — CID 62456342

IUPACN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine
SMILESCNCc1ccoc1COC1CCCc2ccccc21
InChIInChI=1S/C17H21NO2/c1-18-11-14-9-10-19-17(14)12-20-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-10,16,18H,4,6,8,11-12H2,1H3
InChIKeyXULDBHXQQLPUBM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.59
Rot. Bonds5

About N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine

N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine (PubChem CID 62456342) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine
PubChem CID62456342
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine
SMILESCNCc1ccoc1COC1CCCc2ccccc21
InChIInChI=1S/C17H21NO2/c1-18-11-14-9-10-19-17(14)12-20-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-10,16,18H,4,6,8,11-12H2,1H3
InChIKeyXULDBHXQQLPUBM-UHFFFAOYSA-N
XLogP3.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine (CID 62456342) is N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine is CNCc1ccoc1COC1CCCc2ccccc21.
What is the InChIKey of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine?
The InChIKey is XULDBHXQQLPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-11-14-9-10-19-17(14)12-20-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-10,16,18H,4,6,8,11-12H2,1H3.
What are the key properties of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine?
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62456342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).