N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine

C12H20N2O2 — CID 60887964

IUPACN'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCOc1ccc(CNCCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-3-16-11-5-4-10(8-12(11)15-2)9-14-7-6-13/h4-5,8,14H,3,6-7,9,13H2,1-2H3
InChIKeyDFESNROKHBMHQI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.14
Rot. Bonds7

About N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine

N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 60887964) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID60887964
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCOc1ccc(CNCCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-3-16-11-5-4-10(8-12(11)15-2)9-14-7-6-13/h4-5,8,14H,3,6-7,9,13H2,1-2H3
InChIKeyDFESNROKHBMHQI-UHFFFAOYSA-N
XLogP1.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.14
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

5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151
3-ethenoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 28726433
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine (CID 60887964) is N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine is CCOc1ccc(CNCCN)cc1OC.
What is the InChIKey of N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is DFESNROKHBMHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-16-11-5-4-10(8-12(11)15-2)9-14-7-6-13/h4-5,8,14H,3,6-7,9,13H2,1-2H3.
What are the key properties of N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60887964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).