[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride

C8H14ClNO2 — CID 3086123

IUPAC[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride
SMILESCN(C)Cc1ccc(CO)o1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H
InChIKeyUDLQUVLALYCAMJ-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.26
Rot. Bonds3

About [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride

[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride (PubChem CID 3086123) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride
PubChem CID3086123
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride
SMILESCN(C)Cc1ccc(CO)o1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H
InChIKeyUDLQUVLALYCAMJ-UHFFFAOYSA-N
XLogP1.26
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride?
The IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride (CID 3086123) is [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride?
The canonical SMILES for [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride is CN(C)Cc1ccc(CO)o1.Cl.
What is the InChIKey of [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride?
The InChIKey is UDLQUVLALYCAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H.
What are the key properties of [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride?
[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 3086123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).