1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

C15H24N2O2 — CID 114466724

IUPAC1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-12(2)11-19-9-8-17-14(10-16)13-6-4-5-7-15(13)18-3/h4-7,14,17H,1,8-11,16H2,2-3H3
InChIKeyRJMDCIIVLOTETR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds9

About 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114466724) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114466724
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-12(2)11-19-9-8-17-14(10-16)13-6-4-5-7-15(13)18-3/h4-7,14,17H,1,8-11,16H2,2-3H3
InChIKeyRJMDCIIVLOTETR-UHFFFAOYSA-N
XLogP1.88
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466709
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216
1-(furan-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466298
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616035
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 114466724) is 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNC(CN)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is RJMDCIIVLOTETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)11-19-9-8-17-14(10-16)13-6-4-5-7-15(13)18-3/h4-7,14,17H,1,8-11,16H2,2-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114466724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).