2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile

C16H22N2O2 — CID 63825153

IUPAC2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCCOC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-9-11-19-16-7-5-14(6-8-16)13-18-10-12-20-15-3-1-2-4-15/h5-8,15,18H,1-4,10-13H2
InChIKeyBUKQUBVBMVMHHR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile

2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile (PubChem CID 63825153) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile
PubChem CID63825153
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCCOC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-9-11-19-16-7-5-14(6-8-16)13-18-10-12-20-15-3-1-2-4-15/h5-8,15,18H,1-4,10-13H2
InChIKeyBUKQUBVBMVMHHR-UHFFFAOYSA-N
XLogP2.64
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-cyclopentyloxyethylamino)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-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
3-[[4-(cyanomethoxy)phenyl]methylamino]propanenitrile
CID 43221535
2-[4-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 106169750
4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
2-[4-[(pent-3-ynylamino)methyl]phenoxy]acetonitrile
CID 116643067
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
2-[4-[(prop-2-ynylamino)methyl]phenoxy]acetonitrile
CID 43221239
2-[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenoxy]acetonitrile
CID 62635400
2-[4-[(oxolan-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54931993
3-[(2-cyclopentyloxyethylamino)methyl]-4-fluorobenzonitrile
CID 55261259
2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43221033

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile (CID 63825153) is 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile is N#CCOc1ccc(CNCCOC2CCCC2)cc1.
What is the InChIKey of 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile?
The InChIKey is BUKQUBVBMVMHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-9-11-19-16-7-5-14(6-8-16)13-18-10-12-20-15-3-1-2-4-15/h5-8,15,18H,1-4,10-13H2.
What are the key properties of 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile?
2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 63825153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).