[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol

C14H18N2O2 — CID 113372422

IUPAC[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
SMILESCN(CCc1ccccn1)Cc1ccc(CO)o1
InChIInChI=1S/C14H18N2O2/c1-16(9-7-12-4-2-3-8-15-12)10-13-5-6-14(11-17)18-13/h2-6,8,17H,7,9-11H2,1H3
InChIKeyNPSAKBZHNFNTHU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.84
Rot. Bonds6

About [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol

[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 113372422) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
PubChem CID113372422
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
SMILESCN(CCc1ccccn1)Cc1ccc(CO)o1
InChIInChI=1S/C14H18N2O2/c1-16(9-7-12-4-2-3-8-15-12)10-13-5-6-14(11-17)18-13/h2-6,8,17H,7,9-11H2,1H3
InChIKeyNPSAKBZHNFNTHU-UHFFFAOYSA-N
XLogP1.84
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol (CID 113372422) is [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol is CN(CCc1ccccn1)Cc1ccc(CO)o1.
What is the InChIKey of [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is NPSAKBZHNFNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(9-7-12-4-2-3-8-15-12)10-13-5-6-14(11-17)18-13/h2-6,8,17H,7,9-11H2,1H3.
What are the key properties of [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol?
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 113372422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).