2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile

C15H20N2O — CID 43776527

IUPAC2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
SMILESCC(NC(C)C1CC1)c1ccc(OCC#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(13-3-4-13)17-12(2)14-5-7-15(8-6-14)18-10-9-16/h5-8,11-13,17H,3-4,10H2,1-2H3
InChIKeySVEOECALFNSUAI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile

2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile (PubChem CID 43776527) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
PubChem CID43776527
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
SMILESCC(NC(C)C1CC1)c1ccc(OCC#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(13-3-4-13)17-12(2)14-5-7-15(8-6-14)18-10-9-16/h5-8,11-13,17H,3-4,10H2,1-2H3
InChIKeySVEOECALFNSUAI-UHFFFAOYSA-N
XLogP3.04
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
2-[4-[1-(1-phenylethylamino)ethyl]phenoxy]acetonitrile
CID 43755916
2-[4-[1-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81395331
2-[4-[1-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]phenoxy]acetonitrile
CID 103922081
2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 106126098
2-[4-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]phenoxy]acetonitrile
CID 64630998
2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103922020
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81393551
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
methyl 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]-3-methylbutanoate
CID 60781566
2-[4-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]phenoxy]acetonitrile
CID 103271698

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile (CID 43776527) is 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile is CC(NC(C)C1CC1)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile?
The InChIKey is SVEOECALFNSUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(13-3-4-13)17-12(2)14-5-7-15(8-6-14)18-10-9-16/h5-8,11-13,17H,3-4,10H2,1-2H3.
What are the key properties of 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile?
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 43776527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).