2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol

C16H24N2O3 — CID 63062306

IUPAC2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
SMILESO=[N+]([O-])c1ccccc1CCN(CCO)C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-13-12-17(15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18(20)21/h4-6,9,15,19H,1-3,7-8,10-13H2
InChIKeyCVXXSUCEYZEDHK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds7

About 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol

2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol (PubChem CID 63062306) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
PubChem CID63062306
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
SMILESO=[N+]([O-])c1ccccc1CCN(CCO)C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-13-12-17(15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18(20)21/h4-6,9,15,19H,1-3,7-8,10-13H2
InChIKeyCVXXSUCEYZEDHK-UHFFFAOYSA-N
XLogP2.76
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.76
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

2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193
2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 79580074
2-[cyclopropyl-[(2-methyl-3-nitrophenyl)methyl]amino]ethanol
CID 60774493
(2-nitrophenyl)methyl N-cyclohexyl-N-[(2-nitrophenyl)methyl]carbamate
CID 87561557
2-[(4-chloro-2-nitrophenyl)methyl-cyclobutylamino]ethanol
CID 102677159
2-[(4-amino-3-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 62208055
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754
[2-(dicyclohexylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 55316063
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[carboxymethyl-[2-(2-nitrophenyl)ethyl]amino]acetic acid
CID 63645958

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol (CID 63062306) is 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol is O=[N+]([O-])c1ccccc1CCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
The InChIKey is CVXXSUCEYZEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-13-12-17(15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18(20)21/h4-6,9,15,19H,1-3,7-8,10-13H2.
What are the key properties of 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol has a molecular weight of 292.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol is sourced from PubChem (CID 63062306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).