2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile

C15H20N2O3 — CID 65482301

IUPAC2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile
SMILESCOc1cc(CN)cc(OC)c1OCC1(CC#N)CC1
InChIInChI=1S/C15H20N2O3/c1-18-12-7-11(9-17)8-13(19-2)14(12)20-10-15(3-4-15)5-6-16/h7-8H,3-5,9-10,17H2,1-2H3
InChIKeyIMCNRVGLQQNNFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.24
Rot. Bonds7

About 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65482301) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65482301
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile
SMILESCOc1cc(CN)cc(OC)c1OCC1(CC#N)CC1
InChIInChI=1S/C15H20N2O3/c1-18-12-7-11(9-17)8-13(19-2)14(12)20-10-15(3-4-15)5-6-16/h7-8H,3-5,9-10,17H2,1-2H3
InChIKeyIMCNRVGLQQNNFY-UHFFFAOYSA-N
XLogP2.24
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile (CID 65482301) is 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile is COc1cc(CN)cc(OC)c1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is IMCNRVGLQQNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-18-12-7-11(9-17)8-13(19-2)14(12)20-10-15(3-4-15)5-6-16/h7-8H,3-5,9-10,17H2,1-2H3.
What are the key properties of 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 276.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(aminomethyl)-2,6-dimethoxyphenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65482301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).