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

C14H18N4O — CID 18371271

IUPAC2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol
SMILESNc1cc(N)cc(-c2cc(NCCO)ccc2N)c1
InChIInChI=1S/C14H18N4O/c15-10-5-9(6-11(16)7-10)13-8-12(18-3-4-19)1-2-14(13)17/h1-2,5-8,18-19H,3-4,15-17H2
InChIKeySLTKUMXMGWJLHK-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.50
Rot. Bonds4

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

2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol (PubChem CID 18371271) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol
PubChem CID18371271
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol
SMILESNc1cc(N)cc(-c2cc(NCCO)ccc2N)c1
InChIInChI=1S/C14H18N4O/c15-10-5-9(6-11(16)7-10)13-8-12(18-3-4-19)1-2-14(13)17/h1-2,5-8,18-19H,3-4,15-17H2
InChIKeySLTKUMXMGWJLHK-UHFFFAOYSA-N
XLogP1.50
TPSA110.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,5-diaminophenyl)-5-(2-hydroxyethylamino)anilino]ethanol
CID 57203629
4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid
CID 18371515
3-[2-amino-5-(2-hydroxyethylamino)phenyl]phenol
CID 18371468
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
CID 159575611
3-amino-5-[5-amino-2-(2-hydroxyethylamino)phenyl]phenol
CID 18371925
2-amino-4-(2-hydroxyethylamino)benzoic acid
CID 175322504
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
4-[2-amino-5-(2-methoxyethylamino)phenyl]benzoic acid
CID 18371553
2-[4-amino-3-(2-methoxyethyl)anilino]ethanol
CID 57193962

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol (CID 18371271) is 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol is Nc1cc(N)cc(-c2cc(NCCO)ccc2N)c1.
What is the InChIKey of 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol?
The InChIKey is SLTKUMXMGWJLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-5-9(6-11(16)7-10)13-8-12(18-3-4-19)1-2-14(13)17/h1-2,5-8,18-19H,3-4,15-17H2.
What are the key properties of 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol?
2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol has a molecular weight of 258.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol is sourced from PubChem (CID 18371271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).