2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline

C14H14ClN3O2 — CID 21417382

IUPAC2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline
SMILESCOc1cc(/N=N/c2ccccc2)c(OC)c(Cl)c1N
InChIInChI=1S/C14H14ClN3O2/c1-19-11-8-10(14(20-2)12(15)13(11)16)18-17-9-6-4-3-5-7-9/h3-8H,16H2,1-2H3/b18-17+
InChIKeyUPMDFNRWOCSXGJ-ISLYRVAYSA-N
MW291.74 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline

2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline (PubChem CID 21417382) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline.

Molecular Properties

Compound Name2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline
PubChem CID21417382
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline
SMILESCOc1cc(/N=N/c2ccccc2)c(OC)c(Cl)c1N
InChIInChI=1S/C14H14ClN3O2/c1-19-11-8-10(14(20-2)12(15)13(11)16)18-17-9-6-4-3-5-7-9/h3-8H,16H2,1-2H3/b18-17+
InChIKeyUPMDFNRWOCSXGJ-ISLYRVAYSA-N
XLogP4.35
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-phenyldiazenylnaphthalen-1-amine
CID 23338736
3,6-dimethoxy-2-nitro-4-phenyldiazenylaniline
CID 88767483
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
[2-methoxy-5-methyl-3-[methyl(diphenyl)silyl]phenyl]-phenyldiazene
CID 21342367
2,6-dichloro-3-methoxy-4-phenoxyaniline
CID 88611773
[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene
CID 21342333
(2-methoxy-3-phenylphenyl)-phenyldiazene
CID 21342365
(2,4-dimethoxy-3-methylphenyl)-(3-methylphenyl)diazene
CID 175389531
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
4-butoxy-6-phenyldiazenylbenzene-1,3-diamine
CID 12936213
fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine
CID 158779092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline?
The IUPAC name of 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline (CID 21417382) is 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline.
What is the SMILES notation for 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline?
The canonical SMILES for 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline is COc1cc(/N=N/c2ccccc2)c(OC)c(Cl)c1N.
What is the InChIKey of 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline?
The InChIKey is UPMDFNRWOCSXGJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-19-11-8-10(14(20-2)12(15)13(11)16)18-17-9-6-4-3-5-7-9/h3-8H,16H2,1-2H3/b18-17+.
What are the key properties of 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline?
2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline has a molecular weight of 291.74 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline is sourced from PubChem (CID 21417382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).