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

C12H21NO2 — CID 115882816

IUPAC1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol
SMILESCc1ccoc1CN(CC(C)O)C(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)13(7-11(4)14)8-12-10(3)5-6-15-12/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyJFGUTITVWFDKSM-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.18
Rot. Bonds5

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

1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol (PubChem CID 115882816) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol
PubChem CID115882816
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol
SMILESCc1ccoc1CN(CC(C)O)C(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)13(7-11(4)14)8-12-10(3)5-6-15-12/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyJFGUTITVWFDKSM-UHFFFAOYSA-N
XLogP2.18
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 115882823
2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 106889510
2-ethyl-3-methylfuran;methane
CID 160795170
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
CID 130597810
2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide
CID 167984402
2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 110011456
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carboxylate
CID 75425998
N-ethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62418170

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol (CID 115882816) is 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol is Cc1ccoc1CN(CC(C)O)C(C)C.
What is the InChIKey of 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol?
The InChIKey is JFGUTITVWFDKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)13(7-11(4)14)8-12-10(3)5-6-15-12/h5-6,9,11,14H,7-8H2,1-4H3.
What are the key properties of 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol?
1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 115882816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).