3-(2-chlorophenoxy)-5-nitro-N-propylaniline

C15H15ClN2O3 — CID 80867354

IUPAC3-(2-chlorophenoxy)-5-nitro-N-propylaniline
SMILESCCCNc1cc(Oc2ccccc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN2O3/c1-2-7-17-11-8-12(18(19)20)10-13(9-11)21-15-6-4-3-5-14(15)16/h3-6,8-10,17H,2,7H2,1H3
InChIKeyRMZDAZZKCMCSST-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.86
Rot. Bonds6

About 3-(2-chlorophenoxy)-5-nitro-N-propylaniline

3-(2-chlorophenoxy)-5-nitro-N-propylaniline (PubChem CID 80867354) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-5-nitro-N-propylaniline.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-5-nitro-N-propylaniline
PubChem CID80867354
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-(2-chlorophenoxy)-5-nitro-N-propylaniline
SMILESCCCNc1cc(Oc2ccccc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN2O3/c1-2-7-17-11-8-12(18(19)20)10-13(9-11)21-15-6-4-3-5-14(15)16/h3-6,8-10,17H,2,7H2,1H3
InChIKeyRMZDAZZKCMCSST-UHFFFAOYSA-N
XLogP4.86
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenoxy)-5-nitro-N-propylaniline
CID 80865059
2-[3-nitro-5-(propylamino)phenoxy]ethanol
CID 80860789
3-[3-(dimethylamino)propoxy]-5-nitro-N-propylaniline
CID 80871824
3-(2,4-dichlorophenoxy)-N-methyl-5-nitroaniline
CID 80869013
N-(2-methoxyethyl)-3-nitro-5-propoxyaniline
CID 80723800
3-but-3-enoxy-5-nitro-N-propylaniline
CID 80860870
3-nitro-N-propyl-5-(4,4,4-trifluorobutoxy)aniline
CID 82782905
5-(2-chlorophenoxy)-N-ethyl-2-nitroaniline
CID 70464869
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062
3-(3,5-difluorophenoxy)-N-ethyl-5-nitroaniline
CID 80880134
2-[3-nitro-5-(propylamino)anilino]ethanol
CID 80766320
3-(3-methoxy-3-methylbutoxy)-5-nitro-N-propylaniline
CID 106668987

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-5-nitro-N-propylaniline?
The IUPAC name of 3-(2-chlorophenoxy)-5-nitro-N-propylaniline (CID 80867354) is 3-(2-chlorophenoxy)-5-nitro-N-propylaniline.
What is the SMILES notation for 3-(2-chlorophenoxy)-5-nitro-N-propylaniline?
The canonical SMILES for 3-(2-chlorophenoxy)-5-nitro-N-propylaniline is CCCNc1cc(Oc2ccccc2Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-chlorophenoxy)-5-nitro-N-propylaniline?
The InChIKey is RMZDAZZKCMCSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-7-17-11-8-12(18(19)20)10-13(9-11)21-15-6-4-3-5-14(15)16/h3-6,8-10,17H,2,7H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-5-nitro-N-propylaniline?
3-(2-chlorophenoxy)-5-nitro-N-propylaniline has a molecular weight of 306.75 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-5-nitro-N-propylaniline is sourced from PubChem (CID 80867354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).