N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C15H24N2O — CID 104745807

IUPACN,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccccc1C)C1CCOC1
InChIInChI=1S/C15H24N2O/c1-12-6-4-5-7-15(12)17(3)10-14(16-2)13-8-9-18-11-13/h4-7,13-14,16H,8-11H2,1-3H3
InChIKeyRVSGHLXEFIEZBL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds5

About N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745807) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745807
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)c1ccccc1C)C1CCOC1
InChIInChI=1S/C15H24N2O/c1-12-6-4-5-7-15(12)17(3)10-14(16-2)13-8-9-18-11-13/h4-7,13-14,16H,8-11H2,1-3H3
InChIKeyRVSGHLXEFIEZBL-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 104745809
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 104744988
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
2-(2,3-dihydroindol-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113447953
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745807) is N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)c1ccccc1C)C1CCOC1.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is RVSGHLXEFIEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-4-5-7-15(12)17(3)10-14(16-2)13-8-9-18-11-13/h4-7,13-14,16H,8-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).