2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile

C15H20N2O2 — CID 114756105

IUPAC2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCC2(CCO)CC2)cc1
InChIInChI=1S/C15H20N2O2/c16-8-10-19-14-3-1-13(2-4-14)11-17-12-15(5-6-15)7-9-18/h1-4,17-18H,5-7,9-12H2
InChIKeyVAUAVOMQLYOKAV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile

2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile (PubChem CID 114756105) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
PubChem CID114756105
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCC2(CCO)CC2)cc1
InChIInChI=1S/C15H20N2O2/c16-8-10-19-14-3-1-13(2-4-14)11-17-12-15(5-6-15)7-9-18/h1-4,17-18H,5-7,9-12H2
InChIKeyVAUAVOMQLYOKAV-UHFFFAOYSA-N
XLogP1.84
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]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-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
CID 114750364
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
3-[[4-(cyanomethoxy)phenyl]methylamino]propanenitrile
CID 43221535
2-[4-[(prop-2-ynylamino)methyl]phenoxy]acetonitrile
CID 43221239
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
2-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenoxy]propanenitrile
CID 111579300
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
CID 104954545
N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 103735577
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-4-methoxybenzonitrile
CID 114756535
2-[4-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43776316

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile (CID 114756105) is 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile is N#CCOc1ccc(CNCC2(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile?
The InChIKey is VAUAVOMQLYOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-8-10-19-14-3-1-13(2-4-14)11-17-12-15(5-6-15)7-9-18/h1-4,17-18H,5-7,9-12H2.
What are the key properties of 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile?
2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 114756105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).