3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile

C15H20N2O2 — CID 116959266

IUPAC3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile
SMILESCNC(c1ccc(OC(C)C)cc1)C1(C#N)COC1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-13-6-4-12(5-7-13)14(17-3)15(8-16)9-18-10-15/h4-7,11,14,17H,9-10H2,1-3H3
InChIKeyKFIKGQYQFJGNEX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds5

About 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile

3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile (PubChem CID 116959266) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile
PubChem CID116959266
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile
SMILESCNC(c1ccc(OC(C)C)cc1)C1(C#N)COC1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-13-6-4-12(5-7-13)14(17-3)15(8-16)9-18-10-15/h4-7,11,14,17H,9-10H2,1-3H3
InChIKeyKFIKGQYQFJGNEX-UHFFFAOYSA-N
XLogP2.27
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837097
3-[hydroxy-(3-propan-2-yloxyphenyl)methyl]oxane-3-carbonitrile
CID 103715719
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
CID 117034789
[(2-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105250961
1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242531
2-methoxy-N-methyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 79616330
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930111
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile (CID 116959266) is 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile is CNC(c1ccc(OC(C)C)cc1)C1(C#N)COC1.
What is the InChIKey of 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile?
The InChIKey is KFIKGQYQFJGNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)19-13-6-4-12(5-7-13)14(17-3)15(8-16)9-18-10-15/h4-7,11,14,17H,9-10H2,1-3H3.
What are the key properties of 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile?
3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 116959266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).