N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine

C16H16N2O3 — CID 174248353

IUPACN-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine
SMILESCNC(Oc1ccccc1[N+](=O)[O-])=C(C)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(13-8-4-3-5-9-13)16(17-2)21-15-11-7-6-10-14(15)18(19)20/h3-11,17H,1-2H3
InChIKeyFHOHYDLDIBOWHV-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.58
Rot. Bonds5

About N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine

N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine (PubChem CID 174248353) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine
PubChem CID174248353
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine
SMILESCNC(Oc1ccccc1[N+](=O)[O-])=C(C)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(13-8-4-3-5-9-13)16(17-2)21-15-11-7-6-10-14(15)18(19)20/h3-11,17H,1-2H3
InChIKeyFHOHYDLDIBOWHV-UHFFFAOYSA-N
XLogP3.58
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-nitrophenyl) N-phenylbenzenecarboximidate
CID 21233958
(2-nitrophenyl) 3-nitrobenzoate
CID 3339758
ethoxy (2-nitrophenyl) carbonate
CID 88781671
(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
(2-nitrophenyl) 2-methoxy-2-phenylacetate
CID 10085432
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
(2-nitrophenyl) 2,2-diphenylacetate
CID 3339760
(2-nitrophenyl) 3-chlorobenzoate
CID 836200
(2-nitrophenyl) 3,4,5-trimethoxybenzoate
CID 905326
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
(2-nitrophenyl) (E)-3-phenylprop-2-enoate
CID 905313

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine?
The IUPAC name of N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine (CID 174248353) is N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine?
The canonical SMILES for N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine is CNC(Oc1ccccc1[N+](=O)[O-])=C(C)c1ccccc1.
What is the InChIKey of N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine?
The InChIKey is FHOHYDLDIBOWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(13-8-4-3-5-9-13)16(17-2)21-15-11-7-6-10-14(15)18(19)20/h3-11,17H,1-2H3.
What are the key properties of N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine?
N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine has a molecular weight of 284.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine is sourced from PubChem (CID 174248353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).