4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline

C17H20ClN3O — CID 176777997

IUPAC4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline
SMILES[H]/N=N/c1cc(Cl)c(CC)cc1NCCOCc1ccccc1
InChIInChI=1S/C17H20ClN3O/c1-2-14-10-16(17(21-19)11-15(14)18)20-8-9-22-12-13-6-4-3-5-7-13/h3-7,10-11,19-20H,2,8-9,12H2,1H3/b21-19+
InChIKeyZWFBVQLWZPRVNR-XUTLUUPISA-N
MW317.82 g/mol
LogP5.19
Rot. Bonds8

About 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline

4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline (PubChem CID 176777997) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline
PubChem CID176777997
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline
SMILES[H]/N=N/c1cc(Cl)c(CC)cc1NCCOCc1ccccc1
InChIInChI=1S/C17H20ClN3O/c1-2-14-10-16(17(21-19)11-15(14)18)20-8-9-22-12-13-6-4-3-5-7-13/h3-7,10-11,19-20H,2,8-9,12H2,1H3/b21-19+
InChIKeyZWFBVQLWZPRVNR-XUTLUUPISA-N
XLogP5.19
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

4-chloro-5-ethyl-2-nitro-N-(2-phenylmethoxyethyl)aniline
CID 166558321
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline
CID 82825333
1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
CID 54054142
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964300
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
CID 70319310
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
CID 100552706
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
3-diazenyl-4-(ethylamino)benzoic acid
CID 163431249
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline?
The IUPAC name of 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline (CID 176777997) is 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline.
What is the SMILES notation for 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline?
The canonical SMILES for 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline is [H]/N=N/c1cc(Cl)c(CC)cc1NCCOCc1ccccc1.
What is the InChIKey of 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline?
The InChIKey is ZWFBVQLWZPRVNR-XUTLUUPISA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-14-10-16(17(21-19)11-15(14)18)20-8-9-22-12-13-6-4-3-5-7-13/h3-7,10-11,19-20H,2,8-9,12H2,1H3/b21-19+.
What are the key properties of 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline?
4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline has a molecular weight of 317.82 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-diazenyl-5-ethyl-N-(2-phenylmethoxyethyl)aniline is sourced from PubChem (CID 176777997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).