3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile

C19H20N2O — CID 126802466

IUPAC3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
SMILESN#Cc1cccc(NC(CC2CCOC2)c2ccccc2)c1
InChIInChI=1S/C19H20N2O/c20-13-15-5-4-8-18(11-15)21-19(12-16-9-10-22-14-16)17-6-2-1-3-7-17/h1-8,11,16,19,21H,9-10,12,14H2
InChIKeyCHFCLQPFUOKNLZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.14
Rot. Bonds5

About 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile

3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile (PubChem CID 126802466) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
PubChem CID126802466
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
SMILESN#Cc1cccc(NC(CC2CCOC2)c2ccccc2)c1
InChIInChI=1S/C19H20N2O/c20-13-15-5-4-8-18(11-15)21-19(12-16-9-10-22-14-16)17-6-2-1-3-7-17/h1-8,11,16,19,21H,9-10,12,14H2
InChIKeyCHFCLQPFUOKNLZ-UHFFFAOYSA-N
XLogP4.14
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-nitro-4-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413535
2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413488
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445
5-nitro-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413534
2-nitro-N-[2-(oxolan-3-yl)-1-phenylethyl]aniline
CID 133413500
(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
CID 124829415
N-[2-(oxolan-3-yl)-1-phenylethyl]-4-(trifluoromethylsulfonyl)aniline
CID 133413514
3-(1-phenylhexylamino)benzonitrile
CID 43762515
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
The IUPAC name of 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile (CID 126802466) is 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile.
What is the SMILES notation for 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
The canonical SMILES for 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile is N#Cc1cccc(NC(CC2CCOC2)c2ccccc2)c1.
What is the InChIKey of 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
The InChIKey is CHFCLQPFUOKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c20-13-15-5-4-8-18(11-15)21-19(12-16-9-10-22-14-16)17-6-2-1-3-7-17/h1-8,11,16,19,21H,9-10,12,14H2.
What are the key properties of 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile has a molecular weight of 292.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile is sourced from PubChem (CID 126802466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).