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

C17H28N2O2 — CID 104745738

IUPACN'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)c1ccccc1OC)C1CCOC1
InChIInChI=1S/C17H28N2O2/c1-4-10-18-15(14-9-11-21-13-14)12-19(2)16-7-5-6-8-17(16)20-3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyYHGCFIDOIVDVBI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.54
Rot. Bonds8

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

N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (PubChem CID 104745738) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
PubChem CID104745738
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)c1ccccc1OC)C1CCOC1
InChIInChI=1S/C17H28N2O2/c1-4-10-18-15(14-9-11-21-13-14)12-19(2)16-7-5-6-8-17(16)20-3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyYHGCFIDOIVDVBI-UHFFFAOYSA-N
XLogP2.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 63914549
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 82732241
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (CID 104745738) is N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is CCCNC(CN(C)c1ccccc1OC)C1CCOC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The InChIKey is YHGCFIDOIVDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-18-15(14-9-11-21-13-14)12-19(2)16-7-5-6-8-17(16)20-3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 104745738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).