1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine

C15H23ClN2O — CID 62272813

IUPAC1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2ccccc2Cl)CCOC1
InChIInChI=1S/C15H23ClN2O/c1-17-10-15(7-8-19-12-15)11-18(2)9-13-5-3-4-6-14(13)16/h3-6,17H,7-12H2,1-2H3
InChIKeyHPDJYRJVJXCPRT-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.40
Rot. Bonds6

About 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine

1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine (PubChem CID 62272813) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
PubChem CID62272813
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2ccccc2Cl)CCOC1
InChIInChI=1S/C15H23ClN2O/c1-17-10-15(7-8-19-12-15)11-18(2)9-13-5-3-4-6-14(13)16/h3-6,17H,7-12H2,1-2H3
InChIKeyHPDJYRJVJXCPRT-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine (CID 62272813) is 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine is CNCC1(CN(C)Cc2ccccc2Cl)CCOC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The InChIKey is HPDJYRJVJXCPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-10-15(7-8-19-12-15)11-18(2)9-13-5-3-4-6-14(13)16/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine has a molecular weight of 282.81 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine is sourced from PubChem (CID 62272813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).