(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride

C16H25ClN2O4 — CID 161289348

IUPAC(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride
SMILESCNCCC(=O)c1ccco1.CNCC[C@@H](O)c1ccco1.Cl
InChIInChI=1S/C8H13NO2.C8H11NO2.ClH/c2*1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6-7,9-10H,4-5H2,1H3;2-3,6,9H,4-5H2,1H3;1H/t7-;;/m1../s1
InChIKeyJBZOITOTTJAGBP-XCUBXKJBSA-N
MW344.84 g/mol
LogP2.42
Rot. Bonds8

About (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride

(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride (PubChem CID 161289348) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride
PubChem CID161289348
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride
SMILESCNCCC(=O)c1ccco1.CNCC[C@@H](O)c1ccco1.Cl
InChIInChI=1S/C8H13NO2.C8H11NO2.ClH/c2*1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6-7,9-10H,4-5H2,1H3;2-3,6,9H,4-5H2,1H3;1H/t7-;;/m1../s1
InChIKeyJBZOITOTTJAGBP-XCUBXKJBSA-N
XLogP2.42
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride?
The IUPAC name of (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride (CID 161289348) is (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride.
What is the SMILES notation for (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride?
The canonical SMILES for (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride is CNCCC(=O)c1ccco1.CNCC[C@@H](O)c1ccco1.Cl.
What is the InChIKey of (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride?
The InChIKey is JBZOITOTTJAGBP-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H13NO2.C8H11NO2.ClH/c2*1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6-7,9-10H,4-5H2,1H3;2-3,6,9H,4-5H2,1H3;1H/t7-;;/m1../s1.
What are the key properties of (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride?
(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 161289348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).