8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane

C13H19NO2 — CID 122269092

IUPAC8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2Cc1ccco1
InChIInChI=1S/C13H19NO2/c1-15-13-7-10-4-5-11(8-13)14(10)9-12-3-2-6-16-12/h2-3,6,10-11,13H,4-5,7-9H2,1H3
InChIKeyLTIUNHRIXRQELG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds3

About 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane

8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane (PubChem CID 122269092) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane
PubChem CID122269092
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2Cc1ccco1
InChIInChI=1S/C13H19NO2/c1-15-13-7-10-4-5-11(8-13)14(10)9-12-3-2-6-16-12/h2-3,6,10-11,13H,4-5,7-9H2,1H3
InChIKeyLTIUNHRIXRQELG-UHFFFAOYSA-N
XLogP2.42
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712896
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
CID 175739385
N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56679119
1-(furan-2-ylmethyl)-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 131919672
1-[8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methoxyphenyl)urea
CID 3217823
5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56672418
N-[2-(furan-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870790
1-[8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)thiourea
CID 3217845
1-ethyl-3-[(1S,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1467075
1-(3,4-dimethylphenyl)-3-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]thiourea
CID 98110018
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
1-(2,6-dimethylphenyl)-3-[9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 6421283

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane (CID 122269092) is 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane is COC1CC2CCC(C1)N2Cc1ccco1.
What is the InChIKey of 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is LTIUNHRIXRQELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-7-10-4-5-11(8-13)14(10)9-12-3-2-6-16-12/h2-3,6,10-11,13H,4-5,7-9H2,1H3.
What are the key properties of 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane?
8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 221.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122269092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).