[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride

C10H18ClNO2 — CID 171250266

IUPAC[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1ccc(CO)o1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-10(2,3)9(11)8-5-4-7(6-12)13-8;/h4-5,9,12H,6,11H2,1-3H3;1H/t9-;/m0./s1
InChIKeyKQBUSFHSYNCODQ-FVGYRXGTSA-N
MW219.71 g/mol
LogP2.24
Rot. Bonds2

About [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride

[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride (PubChem CID 171250266) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
PubChem CID171250266
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1ccc(CO)o1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-10(2,3)9(11)8-5-4-7(6-12)13-8;/h4-5,9,12H,6,11H2,1-3H3;1H/t9-;/m0./s1
InChIKeyKQBUSFHSYNCODQ-FVGYRXGTSA-N
XLogP2.24
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
CID 130913224
(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244164
(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250896
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
CID 171211482
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
CID 62678424
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
[5-[(R)-amino(diethoxyphosphoryl)methyl]furan-2-yl]methanol
CID 171192326
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride?
The IUPAC name of [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride (CID 171250266) is [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride?
The canonical SMILES for [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride is CC(C)(C)[C@@H](N)c1ccc(CO)o1.Cl.
What is the InChIKey of [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride?
The InChIKey is KQBUSFHSYNCODQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-10(2,3)9(11)8-5-4-7(6-12)13-8;/h4-5,9,12H,6,11H2,1-3H3;1H/t9-;/m0./s1.
What are the key properties of [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride?
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 171250266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).