2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

C14H18N2O — CID 115652162

IUPAC2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCOc1ccc(CNCC2CC2C)cc1C#N
InChIInChI=1S/C14H18N2O/c1-10-5-13(10)9-16-8-11-3-4-14(17-2)12(6-11)7-15/h3-4,6,10,13,16H,5,8-9H2,1-2H3
InChIKeyZWODZKXOJFLHQG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds5

About 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (PubChem CID 115652162) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
PubChem CID115652162
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCOc1ccc(CNCC2CC2C)cc1C#N
InChIInChI=1S/C14H18N2O/c1-10-5-13(10)9-16-8-11-3-4-14(17-2)12(6-11)7-15/h3-4,6,10,13,16H,5,8-9H2,1-2H3
InChIKeyZWODZKXOJFLHQG-UHFFFAOYSA-N
XLogP2.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107880435
2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 106787316
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787494
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
5-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 107230018
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
CID 103699306
5-[[2-(dimethylamino)ethylamino]methyl]-2-methoxybenzonitrile
CID 65336385
4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106129848
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (CID 115652162) is 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is COc1ccc(CNCC2CC2C)cc1C#N.
What is the InChIKey of 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The InChIKey is ZWODZKXOJFLHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-13(10)9-16-8-11-3-4-14(17-2)12(6-11)7-15/h3-4,6,10,13,16H,5,8-9H2,1-2H3.
What are the key properties of 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 115652162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).