2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile

C14H20N2O — CID 116946182

IUPAC2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile
SMILESCCc1ccc(OC)c(C(N)C(C#N)CC)c1
InChIInChI=1S/C14H20N2O/c1-4-10-6-7-13(17-3)12(8-10)14(16)11(5-2)9-15/h6-8,11,14H,4-5,16H2,1-3H3
InChIKeyZFBQOECHVFMZML-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds5

About 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile

2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile (PubChem CID 116946182) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile.

Molecular Properties

Compound Name2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile
PubChem CID116946182
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile
SMILESCCc1ccc(OC)c(C(N)C(C#N)CC)c1
InChIInChI=1S/C14H20N2O/c1-4-10-6-7-13(17-3)12(8-10)14(16)11(5-2)9-15/h6-8,11,14H,4-5,16H2,1-3H3
InChIKeyZFBQOECHVFMZML-UHFFFAOYSA-N
XLogP2.81
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[amino-(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946337
2-[amino-(4-methoxy-3-propan-2-ylphenyl)methyl]butanenitrile
CID 116946160
4-amino-4-(5-ethyl-2-methoxyphenyl)butanenitrile
CID 116940003
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
2-(5-ethyl-2-methoxyphenyl)-3-oxopropanenitrile
CID 82112548
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
2-[amino-(3-tert-butyl-4-methoxyphenyl)methyl]butanenitrile
CID 116946154
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile?
The IUPAC name of 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile (CID 116946182) is 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile.
What is the SMILES notation for 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile?
The canonical SMILES for 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile is CCc1ccc(OC)c(C(N)C(C#N)CC)c1.
What is the InChIKey of 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile?
The InChIKey is ZFBQOECHVFMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-10-6-7-13(17-3)12(8-10)14(16)11(5-2)9-15/h6-8,11,14H,4-5,16H2,1-3H3.
What are the key properties of 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile?
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile is sourced from PubChem (CID 116946182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).