1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H24N2O2 — CID 61431727

IUPAC1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(N)CN(C)CC2CCCO2)c1
InChIInChI=1S/C15H24N2O2/c1-17(10-14-7-4-8-19-14)11-15(16)12-5-3-6-13(9-12)18-2/h3,5-6,9,14-15H,4,7-8,10-11,16H2,1-2H3
InChIKeyIPGDLCWXBJDUGO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds6

About 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61431727) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61431727
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(N)CN(C)CC2CCCO2)c1
InChIInChI=1S/C15H24N2O2/c1-17(10-14-7-4-8-19-14)11-15(16)12-5-3-6-13(9-12)18-2/h3,5-6,9,14-15H,4,7-8,10-11,16H2,1-2H3
InChIKeyIPGDLCWXBJDUGO-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
1-(3-methoxyphenyl)-1-(oxolan-2-ylmethylsulfanyl)butan-2-amine
CID 106494112
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106494105
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61431727) is 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is COc1cccc(C(N)CN(C)CC2CCCO2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is IPGDLCWXBJDUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(10-14-7-4-8-19-14)11-15(16)12-5-3-6-13(9-12)18-2/h3,5-6,9,14-15H,4,7-8,10-11,16H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61431727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).