2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol

C16H22N4O2 — CID 18371790

IUPAC2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1ccc(N)c(-c2cc(N(CCO)CCO)ccc2N)c1
InChIInChI=1S/C16H22N4O2/c17-11-1-3-15(18)13(9-11)14-10-12(2-4-16(14)19)20(5-7-21)6-8-22/h1-4,9-10,21-22H,5-8,17-19H2
InChIKeyRCDNXIUJAKSRIM-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.89
Rot. Bonds6

About 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol

2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 18371790) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID18371790
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1ccc(N)c(-c2cc(N(CCO)CCO)ccc2N)c1
InChIInChI=1S/C16H22N4O2/c17-11-1-3-15(18)13(9-11)14-10-12(2-4-16(14)19)20(5-7-21)6-8-22/h1-4,9-10,21-22H,5-8,17-19H2
InChIKeyRCDNXIUJAKSRIM-UHFFFAOYSA-N
XLogP0.89
TPSA121.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371918
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 23286942
2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol
CID 18798861
2-[2-amino-5-[bis(2-hydroxyethyl)amino]phenyl]furan-3-carbaldehyde
CID 18798895
2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol
CID 23286948
2-[4-amino-3-(4-amino-2,5-dimethylfuran-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 23287117
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 68827014
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
CID 69344978

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol (CID 18371790) is 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol is Nc1ccc(N)c(-c2cc(N(CCO)CCO)ccc2N)c1.
What is the InChIKey of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is RCDNXIUJAKSRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-11-1-3-15(18)13(9-11)14-10-12(2-4-16(14)19)20(5-7-21)6-8-22/h1-4,9-10,21-22H,5-8,17-19H2.
What are the key properties of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 302.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 18371790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).