3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile

C15H20N2O2 — CID 115248223

IUPAC3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
SMILESCOc1cccc(CCN(C)CC2(C#N)COC2)c1
InChIInChI=1S/C15H20N2O2/c1-17(10-15(9-16)11-19-12-15)7-6-13-4-3-5-14(8-13)18-2/h3-5,8H,6-7,10-12H2,1-2H3
InChIKeyVFTXDYVVZXWMTM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.71
Rot. Bonds6

About 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile

3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile (PubChem CID 115248223) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
PubChem CID115248223
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
SMILESCOc1cccc(CCN(C)CC2(C#N)COC2)c1
InChIInChI=1S/C15H20N2O2/c1-17(10-15(9-16)11-19-12-15)7-6-13-4-3-5-14(8-13)18-2/h3-5,8H,6-7,10-12H2,1-2H3
InChIKeyVFTXDYVVZXWMTM-UHFFFAOYSA-N
XLogP1.71
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116930034
1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 115207956
1-[(3-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65389386
2-(3-methoxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238192
3-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248057
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
CID 58065884
3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248060
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile (CID 115248223) is 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile is COc1cccc(CCN(C)CC2(C#N)COC2)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
The InChIKey is VFTXDYVVZXWMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(10-15(9-16)11-19-12-15)7-6-13-4-3-5-14(8-13)18-2/h3-5,8H,6-7,10-12H2,1-2H3.
What are the key properties of 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile?
3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).