2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile

C14H17NO — CID 65495359

IUPAC2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
SMILESCCc1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H17NO/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3
InChIKeyFBFADFZZKWJTCG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile

2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile (PubChem CID 65495359) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
PubChem CID65495359
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
SMILESCCc1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H17NO/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3
InChIKeyFBFADFZZKWJTCG-UHFFFAOYSA-N
XLogP3.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480304
2-[1-[(4-methylsulfanylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493248
2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480924
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 65480751
2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
CID 79776192
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
2-[1-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 102747144

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile (CID 65495359) is 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile is CCc1ccc(OCC2(CC#N)CC2)cc1.
What is the InChIKey of 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile?
The InChIKey is FBFADFZZKWJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3.
What are the key properties of 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).