4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile

C14H18N2O2 — CID 114119316

IUPAC4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile
SMILESCOc1ccc(C#N)cc1CNC1CC(OC)C1
InChIInChI=1S/C14H18N2O2/c1-17-13-6-12(7-13)16-9-11-5-10(8-15)3-4-14(11)18-2/h3-5,12-13,16H,6-7,9H2,1-2H3
InChIKeyALLZBOQRVVSDRB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.83
Rot. Bonds5

About 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile

4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile (PubChem CID 114119316) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile
PubChem CID114119316
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile
SMILESCOc1ccc(C#N)cc1CNC1CC(OC)C1
InChIInChI=1S/C14H18N2O2/c1-17-13-6-12(7-13)16-9-11-5-10(8-15)3-4-14(11)18-2/h3-5,12-13,16H,6-7,9H2,1-2H3
InChIKeyALLZBOQRVVSDRB-UHFFFAOYSA-N
XLogP1.83
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
3-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methoxybenzonitrile
CID 113428864
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
3-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-4-methoxybenzonitrile
CID 114503535
3-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 115963753
4-methoxy-3-[(pent-3-ynylamino)methyl]benzonitrile
CID 116643677
3-(2-bromoethyl)-4-methoxybenzonitrile
CID 174578296
3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide
CID 106276677
3-[(4-bromo-3-chloroanilino)methyl]-4-methoxybenzonitrile
CID 107619778
4-methoxy-3-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 83143462
3-[[1-(dimethylamino)propan-2-ylamino]methyl]-4-methoxybenzonitrile
CID 82937751
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-4-methoxybenzonitrile
CID 114756535

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile?
The IUPAC name of 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile (CID 114119316) is 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile is COc1ccc(C#N)cc1CNC1CC(OC)C1.
What is the InChIKey of 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile?
The InChIKey is ALLZBOQRVVSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-13-6-12(7-13)16-9-11-5-10(8-15)3-4-14(11)18-2/h3-5,12-13,16H,6-7,9H2,1-2H3.
What are the key properties of 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile?
4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(3-methoxycyclobutyl)amino]methyl]benzonitrile is sourced from PubChem (CID 114119316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).