2-(5-bromo-N-ethyl-2-nitroanilino)ethanol

C10H13BrN2O3 — CID 65343582

IUPAC2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
SMILESCCN(CCO)c1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13BrN2O3/c1-2-12(5-6-14)10-7-8(11)3-4-9(10)13(15)16/h3-4,7,14H,2,5-6H2,1H3
InChIKeyOZKVCJHTSDXXKT-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.18
Rot. Bonds5

About 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol

2-(5-bromo-N-ethyl-2-nitroanilino)ethanol (PubChem CID 65343582) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
PubChem CID65343582
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
SMILESCCN(CCO)c1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13BrN2O3/c1-2-12(5-6-14)10-7-8(11)3-4-9(10)13(15)16/h3-4,7,14H,2,5-6H2,1H3
InChIKeyOZKVCJHTSDXXKT-UHFFFAOYSA-N
XLogP2.18
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.18
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

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CID 82784297
2-(4-bromo-N-butyl-2-nitroanilino)ethanol
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CID 115672573
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
1-[4-[ethyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 54879711
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CID 113316454
N-ethyl-5-fluoro-2-nitro-N-propylaniline
CID 142511621
5-bromo-N-(2-chloroethyl)-N-methyl-2-nitroaniline
CID 90077972
3-(5-bromo-N-ethyl-2-nitroanilino)butanoic acid
CID 65341760
2-[4-[[4-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-2-nitroanilino]-(2-hydroxyethyl)amino]-N-ethyl-3-nitroanilino]ethanol
CID 57034784
N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide
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CID 61426021

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol?
The IUPAC name of 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol (CID 65343582) is 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol?
The canonical SMILES for 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol is CCN(CCO)c1cc(Br)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol?
The InChIKey is OZKVCJHTSDXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-2-12(5-6-14)10-7-8(11)3-4-9(10)13(15)16/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol?
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol has a molecular weight of 289.13 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-N-ethyl-2-nitroanilino)ethanol is sourced from PubChem (CID 65343582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).