1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol

C12H22N2O3 — CID 60635601

IUPAC1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCN(C)CCNCC(O)COCc1ccco1
InChIInChI=1S/C12H22N2O3/c1-14(2)6-5-13-8-11(15)9-16-10-12-4-3-7-17-12/h3-4,7,11,13,15H,5-6,8-10H2,1-2H3
InChIKeyANGOGTXIUWVEHW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.31
Rot. Bonds9

About 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 60635601) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID60635601
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCN(C)CCNCC(O)COCc1ccco1
InChIInChI=1S/C12H22N2O3/c1-14(2)6-5-13-8-11(15)9-16-10-12-4-3-7-17-12/h3-4,7,11,13,15H,5-6,8-10H2,1-2H3
InChIKeyANGOGTXIUWVEHW-UHFFFAOYSA-N
XLogP0.31
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
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
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
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 60635601) is 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol is CN(C)CCNCC(O)COCc1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is ANGOGTXIUWVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(2)6-5-13-8-11(15)9-16-10-12-4-3-7-17-12/h3-4,7,11,13,15H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60635601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).