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

C13H18N2O3 — CID 55147193

IUPAC2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
SMILESO=[N+]([O-])c1ccccc1CCN(CCO)C1CC1
InChIInChI=1S/C13H18N2O3/c16-10-9-14(12-5-6-12)8-7-11-3-1-2-4-13(11)15(17)18/h1-4,12,16H,5-10H2
InChIKeyRHPNKMFWUIHUNK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.59
Rot. Bonds7

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

2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol (PubChem CID 55147193) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
PubChem CID55147193
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
SMILESO=[N+]([O-])c1ccccc1CCN(CCO)C1CC1
InChIInChI=1S/C13H18N2O3/c16-10-9-14(12-5-6-12)8-7-11-3-1-2-4-13(11)15(17)18/h1-4,12,16H,5-10H2
InChIKeyRHPNKMFWUIHUNK-UHFFFAOYSA-N
XLogP1.59
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.59
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-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 63062306
2-[cyclopropyl-[(2-methyl-3-nitrophenyl)methyl]amino]ethanol
CID 60774493
2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 79580074
(2-nitrophenyl)methanol
CID 11923
2-[2-(2-nitroanilino)ethyl-(oxetan-3-yl)amino]ethanol
CID 176898593
3-[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 60844176
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
2-[carboxymethyl-[2-(2-nitrophenyl)ethyl]amino]acetic acid
CID 63645958
2-[(4-chloro-2-nitrophenyl)methyl-cyclobutylamino]ethanol
CID 102677159
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol (CID 55147193) is 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol is O=[N+]([O-])c1ccccc1CCN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
The InChIKey is RHPNKMFWUIHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-9-14(12-5-6-12)8-7-11-3-1-2-4-13(11)15(17)18/h1-4,12,16H,5-10H2.
What are the key properties of 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol?
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol has a molecular weight of 250.30 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol is sourced from PubChem (CID 55147193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).