2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol

C20H32N4O4 — CID 67612353

IUPAC2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1.Nc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/2C10H16N2O2/c2*11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h2*1-4,13-14H,5-8,11H2
InChIKeyXASJDANWVBYIPV-UHFFFAOYSA-N
MW392.50 g/mol
LogP0.12
Rot. Bonds10

About 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 67612353) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID67612353
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1.Nc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/2C10H16N2O2/c2*11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h2*1-4,13-14H,5-8,11H2
InChIKeyXASJDANWVBYIPV-UHFFFAOYSA-N
XLogP0.12
TPSA139.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 50.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[3-[4-amino-N-(2-hydroxyethyl)anilino]propylamino]ethanol;trihydrate;trihydrochloride
CID 70549305
4-N,4-N-bis(2-aminoethyl)benzene-1,4-diamine
CID 143552121
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 18371790
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
2-[4-amino-N-(1H-imidazol-2-ylmethyl)anilino]ethanol
CID 22486449
2-[4-amino-N-[1-[4-amino-N-(2-hydroxyethyl)anilino]ethenyl]anilino]ethanol
CID 141052801
2-[N-(2-hydroxyethyl)anilino]ethanol;2-[N-(2-hydroxyethyl)-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]ethanol;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
CID 157205842

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol (CID 67612353) is 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol is Nc1ccc(N(CCO)CCO)cc1.Nc1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is XASJDANWVBYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2O2/c2*11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h2*1-4,13-14H,5-8,11H2.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 392.50 g/mol, XLogP of 0.12, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 67612353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).