2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol

C19H25N3O2 — CID 102397474

IUPAC2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
SMILESCC(C)c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(2)16-3-5-17(6-4-16)20-21-18-7-9-19(10-8-18)22(11-13-23)12-14-24/h3-10,15,23-24H,11-14H2,1-2H3/b21-20+
InChIKeyKYHJBYQNORMXNB-QZQOTICOSA-N
MW327.43 g/mol
LogP4.02
Rot. Bonds8

About 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol (PubChem CID 102397474) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
PubChem CID102397474
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
SMILESCC(C)c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(2)16-3-5-17(6-4-16)20-21-18-7-9-19(10-8-18)22(11-13-23)12-14-24/h3-10,15,23-24H,11-14H2,1-2H3/b21-20+
InChIKeyKYHJBYQNORMXNB-QZQOTICOSA-N
XLogP4.02
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2-methylpropanoate
CID 142226495
[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide
CID 71543129
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
2-[N-(2-hydroxyethyl)-4-[(1-methylpyridin-1-ium-2-yl)diazenyl]anilino]ethanol
CID 135182893
2-[N-(2-hydroxyethyl)-4-(pyridin-1-ium-3-yldiazenyl)anilino]ethanol
CID 136785700
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol
CID 102506402
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
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-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol (CID 102397474) is 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol is CC(C)c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol?
The InChIKey is KYHJBYQNORMXNB-QZQOTICOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(2)16-3-5-17(6-4-16)20-21-18-7-9-19(10-8-18)22(11-13-23)12-14-24/h3-10,15,23-24H,11-14H2,1-2H3/b21-20+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol has a molecular weight of 327.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol is sourced from PubChem (CID 102397474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).