N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine

C11H18N2O2 — CID 82339456

IUPACN'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
SMILESCOc1cccc(OCCNCCN)c1
InChIInChI=1S/C11H18N2O2/c1-14-10-3-2-4-11(9-10)15-8-7-13-6-5-12/h2-4,9,13H,5-8,12H2,1H3
InChIKeyIZQIJYHHFYBBBC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.62
Rot. Bonds7

About N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine

N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 82339456) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
PubChem CID82339456
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
SMILESCOc1cccc(OCCNCCN)c1
InChIInChI=1S/C11H18N2O2/c1-14-10-3-2-4-11(9-10)15-8-7-13-6-5-12/h2-4,9,13H,5-8,12H2,1H3
InChIKeyIZQIJYHHFYBBBC-UHFFFAOYSA-N
XLogP0.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine
CID 2299706
N'-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine;oxalic acid
CID 2923572
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine (CID 82339456) is N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine is COc1cccc(OCCNCCN)c1.
What is the InChIKey of N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is IZQIJYHHFYBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-10-3-2-4-11(9-10)15-8-7-13-6-5-12/h2-4,9,13H,5-8,12H2,1H3.
What are the key properties of N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine?
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82339456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).