1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine

C15H23ClN2O — CID 62413491

IUPAC1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN(C)Cc2ccccc2Cl)O1
InChIInChI=1S/C15H23ClN2O/c1-17-9-13-7-8-14(19-13)11-18(2)10-12-5-3-4-6-15(12)16/h3-6,13-14,17H,7-11H2,1-2H3
InChIKeyAUEZIXRRZVOPOP-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.54
Rot. Bonds6

About 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 62413491) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID62413491
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN(C)Cc2ccccc2Cl)O1
InChIInChI=1S/C15H23ClN2O/c1-17-9-13-7-8-14(19-13)11-18(2)10-12-5-3-4-6-15(12)16/h3-6,13-14,17H,7-11H2,1-2H3
InChIKeyAUEZIXRRZVOPOP-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
N'-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 62557781
N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
CID 55056456

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine (CID 62413491) is 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(CN(C)Cc2ccccc2Cl)O1.
What is the InChIKey of 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is AUEZIXRRZVOPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-9-13-7-8-14(19-13)11-18(2)10-12-5-3-4-6-15(12)16/h3-6,13-14,17H,7-11H2,1-2H3.
What are the key properties of 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62413491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).