N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine

C13H20N2O — CID 104744324

IUPACN'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
SMILESCN(CC(N)C1CCOC1)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-15(12-5-3-2-4-6-12)9-13(14)11-7-8-16-10-11/h2-6,11,13H,7-10,14H2,1H3
InChIKeyOQQNZGCAMOASMV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds4

About N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine

N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine (PubChem CID 104744324) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
PubChem CID104744324
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
SMILESCN(CC(N)C1CCOC1)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-15(12-5-3-2-4-6-12)9-13(14)11-7-8-16-10-11/h2-6,11,13H,7-10,14H2,1H3
InChIKeyOQQNZGCAMOASMV-UHFFFAOYSA-N
XLogP1.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448202
N'-ethyl-N'-(4-fluorophenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448205
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
CID 95618065
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
3-(1-phenylethyl)oxolane
CID 150323599
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine (CID 104744324) is N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine is CN(CC(N)C1CCOC1)c1ccccc1.
What is the InChIKey of N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
The InChIKey is OQQNZGCAMOASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-5-3-2-4-6-12)9-13(14)11-7-8-16-10-11/h2-6,11,13H,7-10,14H2,1H3.
What are the key properties of N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 104744324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).