3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine

C11H19NO2 — CID 83171871

IUPAC3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1ccoc1
InChIInChI=1S/C11H19NO2/c1-10(2)12-5-3-6-13-8-11-4-7-14-9-11/h4,7,9-10,12H,3,5-6,8H2,1-2H3
InChIKeyJROUNRJBXGKLPQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.18
Rot. Bonds7

About 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine

3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 83171871) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
PubChem CID83171871
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1ccoc1
InChIInChI=1S/C11H19NO2/c1-10(2)12-5-3-6-13-8-11-4-7-14-9-11/h4,7,9-10,12H,3,5-6,8H2,1-2H3
InChIKeyJROUNRJBXGKLPQ-UHFFFAOYSA-N
XLogP2.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.18
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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Related Compounds

3-Hydroxymethylfuran-N-ethylcarbamate
CID 170934
furan-3-ylmethyl N-methylcarbamate
CID 57025329
1-(Furan-3-ylmethoxy)-3-(propylamino)propan-2-ol
CID 57567629
(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
CID 58684082
furan-3-ylmethyl N-propan-2-ylcarbamate
CID 58805073
dichloromanganese;(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 59891290
Ethylaminomethyl furan-3-carboxylate
CID 67217509
2-(Furan-3-ylmethoxyimino)propan-1-amine
CID 72390930
ethane;(2E)-2-(furan-3-ylmethoxyimino)propan-1-amine
CID 142935918
1-(furan-3-ylmethoxy)-N-methylmethanamine
CID 166694111
(2R,5R,8R,11S)-5-(furan-3-ylmethoxymethyl)-2,8,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 57696664
(2R,5S,11R,15S)-15-(furan-3-ylmethoxymethyl)-2,5,11-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 60123948

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine (CID 83171871) is 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is JROUNRJBXGKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)12-5-3-6-13-8-11-4-7-14-9-11/h4,7,9-10,12H,3,5-6,8H2,1-2H3.
What are the key properties of 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 83171871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).