2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol

C18H24N4O3 — CID 5078075

IUPAC2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCOc1cc(N)ccc1/N=N/c1ccc(N(CCO)CCO)cc1C
InChIInChI=1S/C18H24N4O3/c1-13-11-15(22(7-9-23)8-10-24)4-6-16(13)20-21-17-5-3-14(19)12-18(17)25-2/h3-6,11-12,23-24H,7-10,19H2,1-2H3/b21-20+
InChIKeyNDLYMLYUXCQTLP-QZQOTICOSA-N
MW344.42 g/mol
LogP2.79
Rot. Bonds8

About 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol

2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (PubChem CID 5078075) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
PubChem CID5078075
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCOc1cc(N)ccc1/N=N/c1ccc(N(CCO)CCO)cc1C
InChIInChI=1S/C18H24N4O3/c1-13-11-15(22(7-9-23)8-10-24)4-6-16(13)20-21-17-5-3-14(19)12-18(17)25-2/h3-6,11-12,23-24H,7-10,19H2,1-2H3/b21-20+
InChIKeyNDLYMLYUXCQTLP-QZQOTICOSA-N
XLogP2.79
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The IUPAC name of 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (CID 5078075) is 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is COc1cc(N)ccc1/N=N/c1ccc(N(CCO)CCO)cc1C.
What is the InChIKey of 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The InChIKey is NDLYMLYUXCQTLP-QZQOTICOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-11-15(22(7-9-23)8-10-24)4-6-16(13)20-21-17-5-3-14(19)12-18(17)25-2/h3-6,11-12,23-24H,7-10,19H2,1-2H3/b21-20+.
What are the key properties of 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol has a molecular weight of 344.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-2-methoxyphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is sourced from PubChem (CID 5078075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).