2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen

C13H11Cl2N3O — CID 70504097

IUPAC2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
SMILESCc1cc(Cl)c(N)cc1Oc1ccc(Cl)cc1.N#N
InChIInChI=1S/C13H11Cl2NO.N2/c1-8-6-11(15)12(16)7-13(8)17-10-4-2-9(14)3-5-10;1-2/h2-7H,16H2,1H3;
InChIKeyKNHYAASUKFHKIZ-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.71
Rot. Bonds2

About 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen

2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen (PubChem CID 70504097) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
PubChem CID70504097
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
SMILESCc1cc(Cl)c(N)cc1Oc1ccc(Cl)cc1.N#N
InChIInChI=1S/C13H11Cl2NO.N2/c1-8-6-11(15)12(16)7-13(8)17-10-4-2-9(14)3-5-10;1-2/h2-7H,16H2,1H3;
InChIKeyKNHYAASUKFHKIZ-UHFFFAOYSA-N
XLogP4.71
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
CID 115555267
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium
CID 88715859
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-chloro-4,5-dimethylaniline
CID 53416768
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
1,4,5,8-tetraamino-2,7-bis(4-chlorophenoxy)anthracene-9,10-dione
CID 71318965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen?
The IUPAC name of 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen (CID 70504097) is 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen.
What is the SMILES notation for 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen?
The canonical SMILES for 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen is Cc1cc(Cl)c(N)cc1Oc1ccc(Cl)cc1.N#N.
What is the InChIKey of 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen?
The InChIKey is KNHYAASUKFHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO.N2/c1-8-6-11(15)12(16)7-13(8)17-10-4-2-9(14)3-5-10;1-2/h2-7H,16H2,1H3;.
What are the key properties of 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen?
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen has a molecular weight of 296.16 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen is sourced from PubChem (CID 70504097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).