N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H23NO2 — CID 43096825

IUPACN-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1coc(COCCCNC2CCCc3ccccc32)c1
InChIInChI=1S/C18H23NO2/c1-2-9-17-15(6-1)7-3-10-18(17)19-11-5-12-20-14-16-8-4-13-21-16/h1-2,4,6,8-9,13,18-19H,3,5,7,10-12,14H2
InChIKeyXBRWFVTYKLKYOU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.85
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43096825) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43096825
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1coc(COCCCNC2CCCc3ccccc32)c1
InChIInChI=1S/C18H23NO2/c1-2-9-17-15(6-1)7-3-10-18(17)19-11-5-12-20-14-16-8-4-13-21-16/h1-2,4,6,8-9,13,18-19H,3,5,7,10-12,14H2
InChIKeyXBRWFVTYKLKYOU-UHFFFAOYSA-N
XLogP3.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43096825) is N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is c1coc(COCCCNC2CCCc3ccccc32)c1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XBRWFVTYKLKYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-9-17-15(6-1)7-3-10-18(17)19-11-5-12-20-14-16-8-4-13-21-16/h1-2,4,6,8-9,13,18-19H,3,5,7,10-12,14H2.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43096825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).