2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol

C19H25N3O3 — CID 21022593

IUPAC2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C19H25N3O3/c1-3-22(12-13-23)18-8-4-16(5-9-18)20-21-17-6-10-19(11-7-17)25-15-14-24-2/h4-11,23H,3,12-15H2,1-2H3/b21-20+
InChIKeyBHTBVJGCVCNLHG-QZQOTICOSA-N
MW343.43 g/mol
LogP3.95
Rot. Bonds10

About 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol

2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol (PubChem CID 21022593) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
PubChem CID21022593
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C19H25N3O3/c1-3-22(12-13-23)18-8-4-16(5-9-18)20-21-17-6-10-19(11-7-17)25-15-14-24-2/h4-11,23H,3,12-15H2,1-2H3/b21-20+
InChIKeyBHTBVJGCVCNLHG-QZQOTICOSA-N
XLogP3.95
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
8-[4-[[4-[[4-[bis(2-methoxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]octyl propanoate
CID 166512691
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
7-[4-[[4-[[4-[ethyl(2-propanoyloxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenoxy]heptyl butanoate
CID 174198662
N,N-diethyl-4-[[4-[[4-[[4-(2-methoxyethoxy)phenyl]iminomethyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]aniline
CID 59348860
10-[4-[[4-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]phenyl]diazenyl]phenoxy]decan-1-ol
CID 102104313
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
2-[N-ethyl-4-[(6-isocyano-3-pyridinyl)diazenyl]anilino]ethanol
CID 58988592
2-[2-hydroxyethyl-[5-[4-[(4-octoxyphenyl)diazenyl]phenoxy]pentyl]amino]ethanol
CID 101231376
2-[N-ethyl-4-[[4-[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanyl-3,3,4,4-tetrafluorocyclobuten-1-yl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 15507534
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol (CID 21022593) is 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol is CCN(CCO)c1ccc(/N=N/c2ccc(OCCOC)cc2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol?
The InChIKey is BHTBVJGCVCNLHG-QZQOTICOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-22(12-13-23)18-8-4-16(5-9-18)20-21-17-6-10-19(11-7-17)25-15-14-24-2/h4-11,23H,3,12-15H2,1-2H3/b21-20+.
What are the key properties of 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol?
2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol has a molecular weight of 343.43 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol is sourced from PubChem (CID 21022593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).