3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol

C11H19NO2 — CID 81411975

IUPAC3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
SMILESC[C@H](NCC(C)(C)CO)c1ccco1
InChIInChI=1S/C11H19NO2/c1-9(10-5-4-6-14-10)12-7-11(2,3)8-13/h4-6,9,12-13H,7-8H2,1-3H3/t9-/m0/s1
InChIKeyJAZOZJNNAIRPIC-VIFPVBQESA-N
MW197.28 g/mol
LogP1.95
Rot. Bonds5

About 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol

3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 81411975) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID81411975
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
SMILESC[C@H](NCC(C)(C)CO)c1ccco1
InChIInChI=1S/C11H19NO2/c1-9(10-5-4-6-14-10)12-7-11(2,3)8-13/h4-6,9,12-13H,7-8H2,1-3H3/t9-/m0/s1
InChIKeyJAZOZJNNAIRPIC-VIFPVBQESA-N
XLogP1.95
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
CID 115719475
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855
N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 54886572
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol (CID 81411975) is 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol is C[C@H](NCC(C)(C)CO)c1ccco1.
What is the InChIKey of 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is JAZOZJNNAIRPIC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(10-5-4-6-14-10)12-7-11(2,3)8-13/h4-6,9,12-13H,7-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol?
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).