2-(ethylamino)-1-(3-nitrophenyl)ethanol

C10H14N2O3 — CID 44719347

IUPAC2-(ethylamino)-1-(3-nitrophenyl)ethanol
SMILESCCNCC(O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O3/c1-2-11-7-10(13)8-4-3-5-9(6-8)12(14)15/h3-6,10-11,13H,2,7H2,1H3
InChIKeyGEVPZZYESWOOPA-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.24
Rot. Bonds5

About 2-(ethylamino)-1-(3-nitrophenyl)ethanol

2-(ethylamino)-1-(3-nitrophenyl)ethanol (PubChem CID 44719347) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(ethylamino)-1-(3-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(ethylamino)-1-(3-nitrophenyl)ethanol
PubChem CID44719347
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(ethylamino)-1-(3-nitrophenyl)ethanol
SMILESCCNCC(O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O3/c1-2-11-7-10(13)8-4-3-5-9(6-8)12(14)15/h3-6,10-11,13H,2,7H2,1H3
InChIKeyGEVPZZYESWOOPA-UHFFFAOYSA-N
XLogP1.24
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
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

(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 547333
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol chloride
CID 53350784
(4R)-1,4-dihydroxy-4-(3-nitrophenyl)butan-2-one
CID 102374268
(1S)-3-methoxy-1-(3-nitrophenyl)but-3-en-1-ol
CID 101169098
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-di(propan-2-yl)azanium
CID 7334170
3-(methylamino)-1-(3-nitrophenyl)propane-1,2-diol
CID 171858052
methyl 4-hydroxy-4-(3-nitrophenyl)butanoate
CID 54942556
(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol
CID 125489284
2-[di(propan-2-yl)amino]-1-(3-nitrophenyl)ethanol;hydrochloride
CID 2900200
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(3-nitrophenyl)ethanol?
The IUPAC name of 2-(ethylamino)-1-(3-nitrophenyl)ethanol (CID 44719347) is 2-(ethylamino)-1-(3-nitrophenyl)ethanol.
What is the SMILES notation for 2-(ethylamino)-1-(3-nitrophenyl)ethanol?
The canonical SMILES for 2-(ethylamino)-1-(3-nitrophenyl)ethanol is CCNCC(O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(ethylamino)-1-(3-nitrophenyl)ethanol?
The InChIKey is GEVPZZYESWOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-11-7-10(13)8-4-3-5-9(6-8)12(14)15/h3-6,10-11,13H,2,7H2,1H3.
What are the key properties of 2-(ethylamino)-1-(3-nitrophenyl)ethanol?
2-(ethylamino)-1-(3-nitrophenyl)ethanol has a molecular weight of 210.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(3-nitrophenyl)ethanol is sourced from PubChem (CID 44719347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).