1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol

C12H22N2O3 — CID 113317433

IUPAC1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)Cc1ccco1
InChIInChI=1S/C12H22N2O3/c1-14(10-12-4-3-6-17-12)9-11(15)8-13-5-7-16-2/h3-4,6,11,13,15H,5,7-10H2,1-2H3
InChIKeyHCEJNWKCGJHNCK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.31
Rot. Bonds9

About 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol

1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113317433) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113317433
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)Cc1ccco1
InChIInChI=1S/C12H22N2O3/c1-14(10-12-4-3-6-17-12)9-11(15)8-13-5-7-16-2/h3-4,6,11,13,15H,5,7-10H2,1-2H3
InChIKeyHCEJNWKCGJHNCK-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-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
CID 113317474
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475001
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 16554026

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol (CID 113317433) is 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN(C)Cc1ccco1.
What is the InChIKey of 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is HCEJNWKCGJHNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(10-12-4-3-6-17-12)9-11(15)8-13-5-7-16-2/h3-4,6,11,13,15H,5,7-10H2,1-2H3.
What are the key properties of 1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)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-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113317433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).