3-[2-(2-aminophenyl)ethyl-ethylamino]phenol

C16H20N2O — CID 107733931

IUPAC3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
SMILESCCN(CCc1ccccc1N)c1cccc(O)c1
InChIInChI=1S/C16H20N2O/c1-2-18(14-7-5-8-15(19)12-14)11-10-13-6-3-4-9-16(13)17/h3-9,12,19H,2,10-11,17H2,1H3
InChIKeyWOQJAWXLOAQEKH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.04
Rot. Bonds5

About 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol

3-[2-(2-aminophenyl)ethyl-ethylamino]phenol (PubChem CID 107733931) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol.

Molecular Properties

Compound Name3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
PubChem CID107733931
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
SMILESCCN(CCc1ccccc1N)c1cccc(O)c1
InChIInChI=1S/C16H20N2O/c1-2-18(14-7-5-8-15(19)12-14)11-10-13-6-3-4-9-16(13)17/h3-9,12,19H,2,10-11,17H2,1H3
InChIKeyWOQJAWXLOAQEKH-UHFFFAOYSA-N
XLogP3.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
CID 107733903
3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol
CID 107733807
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
2-[2-(3-fluoro-N-methylanilino)ethyl]aniline
CID 62496077
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
3-(dioctylamino)phenol
CID 15734569
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol?
The IUPAC name of 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol (CID 107733931) is 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol.
What is the SMILES notation for 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol?
The canonical SMILES for 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol is CCN(CCc1ccccc1N)c1cccc(O)c1.
What is the InChIKey of 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol?
The InChIKey is WOQJAWXLOAQEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-18(14-7-5-8-15(19)12-14)11-10-13-6-3-4-9-16(13)17/h3-9,12,19H,2,10-11,17H2,1H3.
What are the key properties of 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol?
3-[2-(2-aminophenyl)ethyl-ethylamino]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminophenyl)ethyl-ethylamino]phenol is sourced from PubChem (CID 107733931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).