2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol

C14H19IN2O3 — CID 66080534

IUPAC2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol
SMILESO=[N+]([O-])c1cc(I)ccc1N(CCO)C1CCCCC1
InChIInChI=1S/C14H19IN2O3/c15-11-6-7-13(14(10-11)17(19)20)16(8-9-18)12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2
InChIKeyFTHUFXBHYLEEQV-UHFFFAOYSA-N
MW390.22 g/mol
LogP3.33
Rot. Bonds5

About 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol

2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol (PubChem CID 66080534) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol
PubChem CID66080534
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC Name2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol
SMILESO=[N+]([O-])c1cc(I)ccc1N(CCO)C1CCCCC1
InChIInChI=1S/C14H19IN2O3/c15-11-6-7-13(14(10-11)17(19)20)16(8-9-18)12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2
InChIKeyFTHUFXBHYLEEQV-UHFFFAOYSA-N
XLogP3.33
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

2-(N-cyclopentyl-4-iodo-2-nitroanilino)acetic acid
CID 66065842
2-(4-bromo-N-cyclobutyl-2-nitroanilino)ethanol
CID 102675210
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 63372699
2-(N-cyclobutyl-4-methylsulfonyl-2-nitroanilino)ethanol
CID 102675195
2-(4-iodo-N-methyl-2-nitroanilino)ethanol
CID 66081720
2-(5-bromo-N-cyclopentyl-4-fluoro-2-nitroanilino)ethanol
CID 116739642
2-(4-chloro-N-cyclopentyl-5-fluoro-2-nitroanilino)ethanol
CID 66079579
1-[4-[cyclobutyl(3-hydroxypropyl)amino]-3-nitrophenyl]ethanone
CID 102846752
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol?
The IUPAC name of 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol (CID 66080534) is 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol?
The canonical SMILES for 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol is O=[N+]([O-])c1cc(I)ccc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol?
The InChIKey is FTHUFXBHYLEEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3/c15-11-6-7-13(14(10-11)17(19)20)16(8-9-18)12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9H2.
What are the key properties of 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol?
2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol has a molecular weight of 390.22 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol is sourced from PubChem (CID 66080534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).