3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile

C13H15ClN2O — CID 115248060

IUPAC3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
SMILESCN(Cc1ccc(Cl)cc1)CC1(C#N)COC1
InChIInChI=1S/C13H15ClN2O/c1-16(8-13(7-15)9-17-10-13)6-11-2-4-12(14)5-3-11/h2-5H,6,8-10H2,1H3
InChIKeyOQNPNESNQZVGFE-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.31
Rot. Bonds4

About 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile

3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile (PubChem CID 115248060) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
PubChem CID115248060
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
SMILESCN(Cc1ccc(Cl)cc1)CC1(C#N)COC1
InChIInChI=1S/C13H15ClN2O/c1-16(8-13(7-15)9-17-10-13)6-11-2-4-12(14)5-3-11/h2-5H,6,8-10H2,1H3
InChIKeyOQNPNESNQZVGFE-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248057
3-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248197
1-[[(4-ethylphenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245332
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-[[2-(5-bromothiophen-2-yl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248203
3-[(N,4-dimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247842
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797
3-[(4-chlorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 60648042
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
1-[[(2,5-difluorophenyl)methyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245356
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile (CID 115248060) is 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile is CN(Cc1ccc(Cl)cc1)CC1(C#N)COC1.
What is the InChIKey of 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile?
The InChIKey is OQNPNESNQZVGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16(8-13(7-15)9-17-10-13)6-11-2-4-12(14)5-3-11/h2-5H,6,8-10H2,1H3.
What are the key properties of 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile?
3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile has a molecular weight of 250.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).