4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline

C15H15Cl2N3O3 — CID 23291456

IUPAC4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline
SMILESNc1c(OCCNCc2ccc(Cl)cc2)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15Cl2N3O3/c16-11-3-1-10(2-4-11)9-19-5-6-23-14-8-12(17)7-13(15(14)18)20(21)22/h1-4,7-8,19H,5-6,9,18H2
InChIKeyFEEDIQWBOSDBEB-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.65
Rot. Bonds7

About 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline

4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline (PubChem CID 23291456) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline.

Molecular Properties

Compound Name4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline
PubChem CID23291456
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline
SMILESNc1c(OCCNCc2ccc(Cl)cc2)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15Cl2N3O3/c16-11-3-1-10(2-4-11)9-19-5-6-23-14-8-12(17)7-13(15(14)18)20(21)22/h1-4,7-8,19H,5-6,9,18H2
InChIKeyFEEDIQWBOSDBEB-UHFFFAOYSA-N
XLogP3.65
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-chloroethoxy)-6-nitroaniline
CID 11357167
2-nitro-6-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]aniline
CID 23291462
N-benzyl-2-(2-nitrophenoxy)ethanamine;oxalic acid
CID 2935371
2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline
CID 23291448
N-[2-(5-chloro-2-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 55057809
2-[2-(benzylamino)ethoxy]-N-methyl-6-nitroaniline
CID 18691469
2-[(3-amino-4-nitrophenyl)methylamino]ethanol
CID 135197451
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
N-[(4-aminophenyl)methyl]-4-chloro-2-nitroaniline
CID 116650441
N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 78998989
2-[5-[(2-methoxyethylamino)methyl]-2-nitrophenoxy]ethanol
CID 63060105
2-[(2-amino-5-chloro-3-nitrophenoxy)methyl]cyclohexan-1-ol
CID 142454252

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline?
The IUPAC name of 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline (CID 23291456) is 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline.
What is the SMILES notation for 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline?
The canonical SMILES for 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline is Nc1c(OCCNCc2ccc(Cl)cc2)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline?
The InChIKey is FEEDIQWBOSDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c16-11-3-1-10(2-4-11)9-19-5-6-23-14-8-12(17)7-13(15(14)18)20(21)22/h1-4,7-8,19H,5-6,9,18H2.
What are the key properties of 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline?
4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline has a molecular weight of 356.21 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline is sourced from PubChem (CID 23291456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).