2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride

C10H15Cl2N3O3 — CID 172885968

IUPAC2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(Cl)ccc1NCCNCCO
InChIInChI=1S/C10H14ClN3O3.ClH/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15;/h1-2,7,12-13,15H,3-6H2;1H
InChIKeyRPPOGLBHQNRLFA-UHFFFAOYSA-N
MW296.15 g/mol
LogP1.66
Rot. Bonds7

About 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride

2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride (PubChem CID 172885968) has the molecular formula C10H15Cl2N3O3 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride
PubChem CID172885968
Molecular FormulaC10H15Cl2N3O3
Molecular Weight296.15 g/mol
Exact Mass295.05
IUPAC Name2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(Cl)ccc1NCCNCCO
InChIInChI=1S/C10H14ClN3O3.ClH/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15;/h1-2,7,12-13,15H,3-6H2;1H
InChIKeyRPPOGLBHQNRLFA-UHFFFAOYSA-N
XLogP1.66
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-[2-(4-chloro-2-nitroanilino)ethyl]-3-methylurea
CID 122153061
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
2-chloro-N-[2-(4-chloro-2-nitroanilino)ethyl]benzamide
CID 2855208
2-bromo-N-[2-(4-chloro-2-nitroanilino)ethyl]benzamide
CID 2883234
2-(4-chloro-2-nitroanilino)ethyl-ethylazanium
CID 3267348
4-chloro-N-(3-methoxypropyl)-2-nitroaniline
CID 43089839
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol
CID 2829608
2-(4-chloro-2-nitroanilino)-N-methylethanesulfonamide
CID 103081288
bis[4-(2-hydroxyethylamino)-3-nitrophenyl]methanone
CID 151369958
2-[(4-chloro-2-nitroanilino)methyl]-2-methylbutan-1-ol
CID 81412428
4-chloro-N-(3-methylsulfinylpropyl)-2-nitroaniline;ethane
CID 144946226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride?
The IUPAC name of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride (CID 172885968) is 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride is Cl.O=[N+]([O-])c1cc(Cl)ccc1NCCNCCO.
What is the InChIKey of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride?
The InChIKey is RPPOGLBHQNRLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3.ClH/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15;/h1-2,7,12-13,15H,3-6H2;1H.
What are the key properties of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride?
2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride has a molecular weight of 296.15 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 172885968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).