2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile

C14H18N2O — CID 114112946

IUPAC2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile
SMILESCOCCC1(CNc2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2O/c1-17-9-8-14(6-7-14)11-16-13-5-3-2-4-12(13)10-15/h2-5,16H,6-9,11H2,1H3
InChIKeyIDSVMMJTSGSGLV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.79
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile

2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile (PubChem CID 114112946) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile
PubChem CID114112946
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile
SMILESCOCCC1(CNc2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2O/c1-17-9-8-14(6-7-14)11-16-13-5-3-2-4-12(13)10-15/h2-5,16H,6-9,11H2,1H3
InChIKeyIDSVMMJTSGSGLV-UHFFFAOYSA-N
XLogP2.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]benzonitrile
CID 106253939
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridazine-3-carbonitrile
CID 133420230
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)benzonitrile
CID 10490308
2-(dodecylamino)benzonitrile
CID 63488308
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
CID 113263918
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943
4-[(2-cyanoanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499005

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile?
The IUPAC name of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile (CID 114112946) is 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile?
The canonical SMILES for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile is COCCC1(CNc2ccccc2C#N)CC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile?
The InChIKey is IDSVMMJTSGSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-9-8-14(6-7-14)11-16-13-5-3-2-4-12(13)10-15/h2-5,16H,6-9,11H2,1H3.
What are the key properties of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile?
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile is sourced from PubChem (CID 114112946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).