(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol

C13H23NO2 — CID 97101602

IUPAC(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
SMILESCc1ccoc1[C@@H](C)NC[C@H](O)CC(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)7-12(15)8-14-11(4)13-10(3)5-6-16-13/h5-6,9,11-12,14-15H,7-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyFOFQWNZGXXGCLW-VXGBXAGGSA-N
MW225.33 g/mol
LogP2.65
Rot. Bonds6

About (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol

(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol (PubChem CID 97101602) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
PubChem CID97101602
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
SMILESCc1ccoc1[C@@H](C)NC[C@H](O)CC(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)7-12(15)8-14-11(4)13-10(3)5-6-16-13/h5-6,9,11-12,14-15H,7-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyFOFQWNZGXXGCLW-VXGBXAGGSA-N
XLogP2.65
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol with MolForge

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Related Compounds

4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 115867921
3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 115892146
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
4-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]pentan-2-ol
CID 104578742
2-butan-2-yl-3-methylfuran
CID 89080868
4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
CID 104805469
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-4-methylpentan-2-ol
CID 103779715
2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
CID 115920447

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol?
The IUPAC name of (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol (CID 97101602) is (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol.
What is the SMILES notation for (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol?
The canonical SMILES for (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol is Cc1ccoc1[C@@H](C)NC[C@H](O)CC(C)C.
What is the InChIKey of (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol?
The InChIKey is FOFQWNZGXXGCLW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)7-12(15)8-14-11(4)13-10(3)5-6-16-13/h5-6,9,11-12,14-15H,7-8H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol?
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol is sourced from PubChem (CID 97101602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).