4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile

C12H14N2O2 — CID 117053087

IUPAC4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCC1(N)CC1
InChIInChI=1S/C12H14N2O2/c1-15-11-6-9(7-13)2-3-10(11)16-8-12(14)4-5-12/h2-3,6H,4-5,8,14H2,1H3
InChIKeyYZRZBFLZQLDYON-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.44
Rot. Bonds4

About 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile

4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile (PubChem CID 117053087) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile
PubChem CID117053087
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCC1(N)CC1
InChIInChI=1S/C12H14N2O2/c1-15-11-6-9(7-13)2-3-10(11)16-8-12(14)4-5-12/h2-3,6H,4-5,8,14H2,1H3
InChIKeyYZRZBFLZQLDYON-UHFFFAOYSA-N
XLogP1.44
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
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4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820
3-methoxy-4-(2-methylprop-2-enoxy)benzonitrile
CID 2972917
4-(5-chloropentoxy)-3-methoxybenzonitrile
CID 43348380
4-(9-bromononoxy)-3-methoxybenzonitrile
CID 105343210
4-(3-ethoxypropoxy)-3-methoxybenzonitrile
CID 65175346
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-(2-ethylsulfonylethoxy)-3-methoxybenzonitrile
CID 43807788

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile (CID 117053087) is 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCC1(N)CC1.
What is the InChIKey of 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile?
The InChIKey is YZRZBFLZQLDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-6-9(7-13)2-3-10(11)16-8-12(14)4-5-12/h2-3,6H,4-5,8,14H2,1H3.
What are the key properties of 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile?
4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 117053087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).