2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol

C11H19NO2 — CID 60886966

IUPAC2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(C)CC(C)(C)O)o1
InChIInChI=1S/C11H19NO2/c1-9-5-6-10(14-9)7-12(4)8-11(2,3)13/h5-6,13H,7-8H2,1-4H3
InChIKeySJGVKDRAJGVUAT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol

2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol (PubChem CID 60886966) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
PubChem CID60886966
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(C)CC(C)(C)O)o1
InChIInChI=1S/C11H19NO2/c1-9-5-6-10(14-9)7-12(4)8-11(2,3)13/h5-6,13H,7-8H2,1-4H3
InChIKeySJGVKDRAJGVUAT-UHFFFAOYSA-N
XLogP1.79
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928
N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62256958
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78964773
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 80551355
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66455352
N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62258012
N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
2-methyl-4-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]but-3-yn-2-ol
CID 50982749
2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol (CID 60886966) is 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol is Cc1ccc(CN(C)CC(C)(C)O)o1.
What is the InChIKey of 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
The InChIKey is SJGVKDRAJGVUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-5-6-10(14-9)7-12(4)8-11(2,3)13/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 60886966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).