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

C14H18N2O — CID 65480304

IUPAC2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCNCc1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-16-10-12-2-4-13(5-3-12)17-11-14(6-7-14)8-9-15/h2-5,16H,6-8,10-11H2,1H3
InChIKeyOKXAOBJOCWBWDH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds6

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

2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65480304) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65480304
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCNCc1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-16-10-12-2-4-13(5-3-12)17-11-14(6-7-14)8-9-15/h2-5,16H,6-8,10-11H2,1H3
InChIKeyOKXAOBJOCWBWDH-UHFFFAOYSA-N
XLogP2.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[(4-methylsulfanylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493248
2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480924
2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 112608780
2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
CID 79776192
2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile
CID 65482109
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
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
3-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-methylbenzonitrile
CID 107658063
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile (CID 65480304) is 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile is CNCc1ccc(OCC2(CC#N)CC2)cc1.
What is the InChIKey of 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is OKXAOBJOCWBWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-10-12-2-4-13(5-3-12)17-11-14(6-7-14)8-9-15/h2-5,16H,6-8,10-11H2,1H3.
What are the key properties of 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).