5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile

C16H20N2O2 — CID 103864579

IUPAC5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNC2CCOC2C2CC2)cc1C#N
InChIInChI=1S/C16H20N2O2/c1-19-15-5-2-11(8-13(15)9-17)10-18-14-6-7-20-16(14)12-3-4-12/h2,5,8,12,14,16,18H,3-4,6-7,10H2,1H3
InChIKeyGZLVZBZCEVCTHI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds5

About 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile

5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 103864579) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
PubChem CID103864579
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNC2CCOC2C2CC2)cc1C#N
InChIInChI=1S/C16H20N2O2/c1-19-15-5-2-11(8-13(15)9-17)10-18-14-6-7-20-16(14)12-3-4-12/h2,5,8,12,14,16,18H,3-4,6-7,10H2,1H3
InChIKeyGZLVZBZCEVCTHI-UHFFFAOYSA-N
XLogP2.22
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile
CID 65341300
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-methoxy-5-[[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]benzonitrile
CID 129475626
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-methoxy-5-[[[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]amino]methyl]benzonitrile
CID 128969205
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile (CID 103864579) is 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile is COc1ccc(CNC2CCOC2C2CC2)cc1C#N.
What is the InChIKey of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is GZLVZBZCEVCTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-15-5-2-11(8-13(15)9-17)10-18-14-6-7-20-16(14)12-3-4-12/h2,5,8,12,14,16,18H,3-4,6-7,10H2,1H3.
What are the key properties of 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile?
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 103864579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).