1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol

C13H24N2O3 — CID 113317474

IUPAC1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
SMILESCOCCNCC(O)CN(C)Cc1ccoc1C
InChIInChI=1S/C13H24N2O3/c1-11-12(4-6-18-11)9-15(2)10-13(16)8-14-5-7-17-3/h4,6,13-14,16H,5,7-10H2,1-3H3
InChIKeyMYDJENITCBTXHD-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.62
Rot. Bonds9

About 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol

1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol (PubChem CID 113317474) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
PubChem CID113317474
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
SMILESCOCCNCC(O)CN(C)Cc1ccoc1C
InChIInChI=1S/C13H24N2O3/c1-11-12(4-6-18-11)9-15(2)10-13(16)8-14-5-7-17-3/h4,6,13-14,16H,5,7-10H2,1-3H3
InChIKeyMYDJENITCBTXHD-UHFFFAOYSA-N
XLogP0.62
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.62
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-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317433
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
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631270
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782588
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol (CID 113317474) is 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol is COCCNCC(O)CN(C)Cc1ccoc1C.
What is the InChIKey of 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol?
The InChIKey is MYDJENITCBTXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11-12(4-6-18-11)9-15(2)10-13(16)8-14-5-7-17-3/h4,6,13-14,16H,5,7-10H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol?
1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 113317474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).