2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol

C14H20N2O3 — CID 2845788

IUPAC2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol
SMILESCCCN(CC=Cc1ccccc1[N+](=O)[O-])CCO
InChIInChI=1S/C14H20N2O3/c1-2-9-15(11-12-17)10-5-7-13-6-3-4-8-14(13)16(18)19/h3-8,17H,2,9-12H2,1H3
InChIKeyQEQDDDFQZYWKCB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.31
Rot. Bonds8

About 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol

2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol (PubChem CID 2845788) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol
PubChem CID2845788
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol
SMILESCCCN(CC=Cc1ccccc1[N+](=O)[O-])CCO
InChIInChI=1S/C14H20N2O3/c1-2-9-15(11-12-17)10-5-7-13-6-3-4-8-14(13)16(18)19/h3-8,17H,2,9-12H2,1H3
InChIKeyQEQDDDFQZYWKCB-UHFFFAOYSA-N
XLogP2.31
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.31
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

N,N,N',N'-tetrakis[(E)-3-(2-nitrophenyl)prop-2-enyl]octane-1,8-diamine
CID 21188853
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine
CID 2845648
(E)-N-benzyl-N-methyl-3-(2-nitrophenyl)prop-2-en-1-amine
CID 782786
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
ethanol;2-nitrobenzaldehyde
CID 175129011
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol
CID 110011442
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 115771758
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
2-[(2-nitrophenyl)methylidene]pentanal
CID 146503293
1-(2-methylpent-1-enyl)-2-nitrobenzene
CID 158113954

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol?
The IUPAC name of 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol (CID 2845788) is 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol.
What is the SMILES notation for 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol?
The canonical SMILES for 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol is CCCN(CC=Cc1ccccc1[N+](=O)[O-])CCO.
What is the InChIKey of 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol?
The InChIKey is QEQDDDFQZYWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-9-15(11-12-17)10-5-7-13-6-3-4-8-14(13)16(18)19/h3-8,17H,2,9-12H2,1H3.
What are the key properties of 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol?
2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol is sourced from PubChem (CID 2845788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).