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

C17H28N2O2 — CID 82732241

IUPAC1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCOC1)c1ccccc1OC
InChIInChI=1S/C17H28N2O2/c1-4-10-18-16(12-19(2)14-9-11-21-13-14)15-7-5-6-8-17(15)20-3/h5-8,14,16,18H,4,9-13H2,1-3H3
InChIKeyIGAGMTYBYMGNRN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.46
Rot. Bonds8

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

1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine (PubChem CID 82732241) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine
PubChem CID82732241
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C1CCOC1)c1ccccc1OC
InChIInChI=1S/C17H28N2O2/c1-4-10-18-16(12-19(2)14-9-11-21-13-14)15-7-5-6-8-17(15)20-3/h5-8,14,16,18H,4,9-13H2,1-3H3
InChIKeyIGAGMTYBYMGNRN-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
1-(2,4-dimethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82733681
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734630
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
CID 102740250
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine (CID 82732241) is 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine is CCCNC(CN(C)C1CCOC1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The InChIKey is IGAGMTYBYMGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-18-16(12-19(2)14-9-11-21-13-14)15-7-5-6-8-17(15)20-3/h5-8,14,16,18H,4,9-13H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine?
1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 82732241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).