2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile

C15H20N2O2 — CID 63725761

IUPAC2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1cccc(CNCC2CCOCC2)c1
InChIInChI=1S/C15H20N2O2/c16-6-9-19-15-3-1-2-14(10-15)12-17-11-13-4-7-18-8-5-13/h1-3,10,13,17H,4-5,7-9,11-12H2
InChIKeyHEYQKIQZGTXEJS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds6

About 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile

2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile (PubChem CID 63725761) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
PubChem CID63725761
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1cccc(CNCC2CCOCC2)c1
InChIInChI=1S/C15H20N2O2/c16-6-9-19-15-3-1-2-14(10-15)12-17-11-13-4-7-18-8-5-13/h1-3,10,13,17H,4-5,7-9,11-12H2
InChIKeyHEYQKIQZGTXEJS-UHFFFAOYSA-N
XLogP2.11
TPSA54.28 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
2-[3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenoxy]acetonitrile
CID 81130666
2-[4-[(oxolan-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54931993
2-[3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 106024147
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
CID 43721253
2-[3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43764758
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 79386301
2-[3-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenoxy]acetonitrile
CID 104759732
2-[3-[(3-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43770960

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile (CID 63725761) is 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile is N#CCOc1cccc(CNCC2CCOCC2)c1.
What is the InChIKey of 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile?
The InChIKey is HEYQKIQZGTXEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-6-9-19-15-3-1-2-14(10-15)12-17-11-13-4-7-18-8-5-13/h1-3,10,13,17H,4-5,7-9,11-12H2.
What are the key properties of 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile?
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 63725761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).