3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol

C9H15NO2 — CID 130059387

IUPAC3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(N)c1ccco1
InChIInChI=1S/C9H15NO2/c1-9(2,6-11)8(10)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3
InChIKeyUDALTAGYSWRJCW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol

3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 130059387) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID130059387
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(N)c1ccco1
InChIInChI=1S/C9H15NO2/c1-9(2,6-11)8(10)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3
InChIKeyUDALTAGYSWRJCW-UHFFFAOYSA-N
XLogP1.30
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
1-(furan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053383
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 131879129
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-amine
CID 64770505
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
CID 171246640
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol (CID 130059387) is 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)C(N)c1ccco1.
What is the InChIKey of 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is UDALTAGYSWRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,6-11)8(10)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3.
What are the key properties of 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol?
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 130059387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).