5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile

C16H18N2O2 — CID 111467263

IUPAC5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC(CCCO)c2ccccc2)o1
InChIInChI=1S/C16H18N2O2/c17-11-14-8-9-15(20-14)12-18-16(7-4-10-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,16,18-19H,4,7,10,12H2
InChIKeySDMBVGXOGPMUQZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.75
Rot. Bonds7

About 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile

5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile (PubChem CID 111467263) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile
PubChem CID111467263
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC(CCCO)c2ccccc2)o1
InChIInChI=1S/C16H18N2O2/c17-11-14-8-9-15(20-14)12-18-16(7-4-10-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,16,18-19H,4,7,10,12H2
InChIKeySDMBVGXOGPMUQZ-UHFFFAOYSA-N
XLogP2.75
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449854
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
4-[(2-chloro-3-pyridinyl)methylamino]-4-phenylbutan-1-ol
CID 111449772
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
CID 111449763
4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
CID 111449752

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile (CID 111467263) is 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNC(CCCO)c2ccccc2)o1.
What is the InChIKey of 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is SDMBVGXOGPMUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-11-14-8-9-15(20-14)12-18-16(7-4-10-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,16,18-19H,4,7,10,12H2.
What are the key properties of 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile?
5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 270.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-hydroxy-1-phenylbutyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 111467263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).