2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol

C29H45N3O — CID 18326918

IUPAC2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
SMILESCCCCCCCCCCCCc1ccccc1/N=N/c1ccc(N(CC)CCO)cc1C
InChIInChI=1S/C29H45N3O/c1-4-6-7-8-9-10-11-12-13-14-17-26-18-15-16-19-29(26)31-30-28-21-20-27(24-25(28)3)32(5-2)22-23-33/h15-16,18-21,24,33H,4-14,17,22-23H2,1-3H3/b31-30+
InChIKeyZUIQFHZGNYQMCW-NVQSTNCTSA-N
MW451.70 g/mol
LogP8.69
Rot. Bonds17

About 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol

2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol (PubChem CID 18326918) has the molecular formula C29H45N3O and a molecular weight of 451.70 g/mol. Its IUPAC name is 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
PubChem CID18326918
Molecular FormulaC29H45N3O
Molecular Weight451.70 g/mol
Exact Mass451.36
IUPAC Name2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
SMILESCCCCCCCCCCCCc1ccccc1/N=N/c1ccc(N(CC)CCO)cc1C
InChIInChI=1S/C29H45N3O/c1-4-6-7-8-9-10-11-12-13-14-17-26-18-15-16-19-29(26)31-30-28-21-20-27(24-25(28)3)32(5-2)22-23-33/h15-16,18-21,24,33H,4-14,17,22-23H2,1-3H3/b31-30+
InChIKeyZUIQFHZGNYQMCW-NVQSTNCTSA-N
XLogP8.69
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.70
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 4164065
(2-pentylphenyl)-phenyldiazene
CID 90460821
N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]-2-oxoheptadecanamide
CID 22957791
2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol
CID 135225069
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
2-[5-[[4-[heptyl(octyl)amino]-2-methylphenyl]diazenyl]-4-(2-hydroxyethoxy)-2-[(4-nitrosophenyl)diazenyl]phenoxy]ethanol
CID 123571359
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337
sodium 3-[N-ethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]propane-1-sulfonate
CID 23688964
4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline
CID 161300188
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol?
The IUPAC name of 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol (CID 18326918) is 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol is CCCCCCCCCCCCc1ccccc1/N=N/c1ccc(N(CC)CCO)cc1C.
What is the InChIKey of 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol?
The InChIKey is ZUIQFHZGNYQMCW-NVQSTNCTSA-N. The full InChI is InChI=1S/C29H45N3O/c1-4-6-7-8-9-10-11-12-13-14-17-26-18-15-16-19-29(26)31-30-28-21-20-27(24-25(28)3)32(5-2)22-23-33/h15-16,18-21,24,33H,4-14,17,22-23H2,1-3H3/b31-30+.
What are the key properties of 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol?
2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol has a molecular weight of 451.70 g/mol, XLogP of 8.69, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol is sourced from PubChem (CID 18326918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).