2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride

C9H16ClNO2 — CID 170892169

IUPAC2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride
SMILESCc1cc(CC(N)CO)oc1C.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-6-3-9(12-7(6)2)4-8(10)5-11;/h3,8,11H,4-5,10H2,1-2H3;1H
InChIKeyKZWJRDUTPPIBCO-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride

2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride (PubChem CID 170892169) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride
PubChem CID170892169
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride
SMILESCc1cc(CC(N)CO)oc1C.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-6-3-9(12-7(6)2)4-8(10)5-11;/h3,8,11H,4-5,10H2,1-2H3;1H
InChIKeyKZWJRDUTPPIBCO-UHFFFAOYSA-N
XLogP1.18
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
CID 142883277
(4,5-dimethylfuran-2-yl)methanamine;ethane
CID 142883143
2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 130874727
2-amino-3-(4-bromofuran-2-yl)propan-1-ol;hydrochloride
CID 170892477
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-amino-3-[2-(2-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893543
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
CID 130874631

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride (CID 170892169) is 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride is Cc1cc(CC(N)CO)oc1C.Cl.
What is the InChIKey of 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride?
The InChIKey is KZWJRDUTPPIBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-6-3-9(12-7(6)2)4-8(10)5-11;/h3,8,11H,4-5,10H2,1-2H3;1H.
What are the key properties of 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride?
2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).