N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine

C18H20N2O2 — CID 2845648

IUPACN-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine
SMILESCN(CC=Cc1ccccc1[N+](=O)[O-])CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-19(15-13-16-8-3-2-4-9-16)14-7-11-17-10-5-6-12-18(17)20(21)22/h2-12H,13-15H2,1H3
InChIKeyUFUUFCDTWBSUSW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.78
Rot. Bonds7

About N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine

N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine (PubChem CID 2845648) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine
PubChem CID2845648
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine
SMILESCN(CC=Cc1ccccc1[N+](=O)[O-])CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-19(15-13-16-8-3-2-4-9-16)14-7-11-17-10-5-6-12-18(17)20(21)22/h2-12H,13-15H2,1H3
InChIKeyUFUUFCDTWBSUSW-UHFFFAOYSA-N
XLogP3.78
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-N-benzyl-N-methyl-3-(2-nitrophenyl)prop-2-en-1-amine
CID 782786
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
2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol
CID 110011442
2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol
CID 2845788
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 2186661
(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium
CID 2245026
(E)-N-methyl-5-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pent-4-enamide
CID 10275254

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine (CID 2845648) is N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine is CN(CC=Cc1ccccc1[N+](=O)[O-])CCc1ccccc1.
What is the InChIKey of N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine?
The InChIKey is UFUUFCDTWBSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-19(15-13-16-8-3-2-4-9-16)14-7-11-17-10-5-6-12-18(17)20(21)22/h2-12H,13-15H2,1H3.
What are the key properties of N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine?
N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine has a molecular weight of 296.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-nitrophenyl)-N-(2-phenylethyl)prop-2-en-1-amine is sourced from PubChem (CID 2845648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).