2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile

C15H20N2O2 — CID 116692825

IUPAC2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
SMILESN#CC(N)(CCOCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-12-15(17,13-5-2-1-3-6-13)8-10-18-11-14-7-4-9-19-14/h1-3,5-6,14H,4,7-11,17H2
InChIKeySKSTXVAXHBFCTC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds6

About 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile

2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile (PubChem CID 116692825) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
PubChem CID116692825
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
SMILESN#CC(N)(CCOCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-12-15(17,13-5-2-1-3-6-13)8-10-18-11-14-7-4-9-19-14/h1-3,5-6,14H,4,7-11,17H2
InChIKeySKSTXVAXHBFCTC-UHFFFAOYSA-N
XLogP1.95
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
2,2-dimethyl-6-(oxolan-2-ylmethoxy)hexanenitrile
CID 106710387
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
CID 43532303
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-[3-(oxolan-2-ylmethoxy)propyl]-1-phenylguanidine
CID 110913496

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile (CID 116692825) is 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile is N#CC(N)(CCOCC1CCCO1)c1ccccc1.
What is the InChIKey of 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile?
The InChIKey is SKSTXVAXHBFCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-12-15(17,13-5-2-1-3-6-13)8-10-18-11-14-7-4-9-19-14/h1-3,5-6,14H,4,7-11,17H2.
What are the key properties of 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile?
2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile has a molecular weight of 260.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile is sourced from PubChem (CID 116692825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).