2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol

C11H18N2O2 — CID 82257349

IUPAC2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
SMILESCOc1ccc(CCNCCO)cc1N
InChIInChI=1S/C11H18N2O2/c1-15-11-3-2-9(8-10(11)12)4-5-13-6-7-14/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeySZMUSOCDUGVTDG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.40
Rot. Bonds6

About 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol

2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol (PubChem CID 82257349) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
PubChem CID82257349
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
SMILESCOc1ccc(CCNCCO)cc1N
InChIInChI=1S/C11H18N2O2/c1-15-11-3-2-9(8-10(11)12)4-5-13-6-7-14/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeySZMUSOCDUGVTDG-UHFFFAOYSA-N
XLogP0.40
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346
N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
CID 94759885
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol (CID 82257349) is 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol is COc1ccc(CCNCCO)cc1N.
What is the InChIKey of 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol?
The InChIKey is SZMUSOCDUGVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-11-3-2-9(8-10(11)12)4-5-13-6-7-14/h2-3,8,13-14H,4-7,12H2,1H3.
What are the key properties of 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol?
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 82257349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).