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

C9H16N2O2 — CID 104710880

IUPAC3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(Cc1ccoc1)C(CN)CO
InChIInChI=1S/C9H16N2O2/c1-11(9(4-10)6-12)5-8-2-3-13-7-8/h2-3,7,9,12H,4-6,10H2,1H3
InChIKeyAOOLRYKAXSEDGH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.03
Rot. Bonds5

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

3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol (PubChem CID 104710880) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
PubChem CID104710880
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(Cc1ccoc1)C(CN)CO
InChIInChI=1S/C9H16N2O2/c1-11(9(4-10)6-12)5-8-2-3-13-7-8/h2-3,7,9,12H,4-6,10H2,1H3
InChIKeyAOOLRYKAXSEDGH-UHFFFAOYSA-N
XLogP0.03
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431862
4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
CID 66431838
tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
CID 102729720
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
1-(3-fluoro-4-methylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 55245764
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
2-N-(furan-3-ylmethyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83055029

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol (CID 104710880) is 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol is CN(Cc1ccoc1)C(CN)CO.
What is the InChIKey of 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
The InChIKey is AOOLRYKAXSEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11(9(4-10)6-12)5-8-2-3-13-7-8/h2-3,7,9,12H,4-6,10H2,1H3.
What are the key properties of 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol?
3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 104710880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).