1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol

C13H23NO3 — CID 60633241

IUPAC1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)COCc1ccco1
InChIInChI=1S/C13H23NO3/c1-2-3-4-7-14-9-12(15)10-16-11-13-6-5-8-17-13/h5-6,8,12,14-15H,2-4,7,9-11H2,1H3
InChIKeyQALNIILEFLBGBX-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.94
Rot. Bonds10

About 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol

1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol (PubChem CID 60633241) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
PubChem CID60633241
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)COCc1ccco1
InChIInChI=1S/C13H23NO3/c1-2-3-4-7-14-9-12(15)10-16-11-13-6-5-8-17-13/h5-6,8,12,14-15H,2-4,7,9-11H2,1H3
InChIKeyQALNIILEFLBGBX-UHFFFAOYSA-N
XLogP1.94
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60634350
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
CID 62564799
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756661
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol (CID 60633241) is 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol is CCCCCNCC(O)COCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol?
The InChIKey is QALNIILEFLBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-7-14-9-12(15)10-16-11-13-6-5-8-17-13/h5-6,8,12,14-15H,2-4,7,9-11H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol?
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol is sourced from PubChem (CID 60633241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).