2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile

C14H20N2O — CID 64725627

IUPAC2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile
SMILESCCc1ccccc1OC(C)CC(C)(N)C#N
InChIInChI=1S/C14H20N2O/c1-4-12-7-5-6-8-13(12)17-11(2)9-14(3,16)10-15/h5-8,11H,4,9,16H2,1-3H3
InChIKeyRHFFMYLQAWUWDM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile

2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile (PubChem CID 64725627) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile
PubChem CID64725627
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile
SMILESCCc1ccccc1OC(C)CC(C)(N)C#N
InChIInChI=1S/C14H20N2O/c1-4-12-7-5-6-8-13(12)17-11(2)9-14(3,16)10-15/h5-8,11H,4,9,16H2,1-3H3
InChIKeyRHFFMYLQAWUWDM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
CID 64727389
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
2-amino-2-methyl-4-quinolin-5-yloxypentanenitrile
CID 103045526
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
CID 64725441
2-amino-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methylpentanenitrile
CID 64725603
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
1-(2-ethylphenoxy)ethanol
CID 154419184
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile (CID 64725627) is 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile is CCc1ccccc1OC(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile?
The InChIKey is RHFFMYLQAWUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-12-7-5-6-8-13(12)17-11(2)9-14(3,16)10-15/h5-8,11H,4,9,16H2,1-3H3.
What are the key properties of 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile?
2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile is sourced from PubChem (CID 64725627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).